Paclitaxel

Paclitaxel

SCHEMBL18997

CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Paclitaxel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 3/20 1.00
TUBB known ✓ P07437 3/20 1.00
TUBA3C known ✓ P0DPH7 3/20 1.00
TUBA1B known ✓ P68363 3/20 1.00
TUBA4A known ✓ P68366 3/20 1.00
TUBB4B known ✓ P68371 3/20 1.00
TUBB3 known ✓ Q13509 3/20 1.00
TUBB2A known ✓ Q13885 3/20 1.00
TUBB8 known ✓ Q3ZCM7 3/20 1.00
TUBA3E known ✓ Q6PEY2 3/20 1.00
TUBA1A known ✓ Q71U36 3/20 1.00
TUBA1C known ✓ Q9BQE3 3/20 1.00
TUBB6 known ✓ Q9BUF5 3/20 1.00
TUBB2B known ✓ Q9BVA1 3/20 1.00
TUBB1 known ✓ Q9H4B7 3/20 1.00
NPC1 O15118 8/20 1.00
RAB9A P51151 7/20 1.00
USP2 O75604 2/20 1.00
HIF1A Q16665 2/20 1.00
MEN1 O00255 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Paclitaxel SCHEMBL13622863 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL15590870 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL759366 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL12929005 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760447 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL18389589 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760443 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL10122072 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL13241436 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL22149786 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4992 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739310-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) INHIBITOR COMBINATIONS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-05-13 EP claimed
US-12534571-B2 Amphiphilic block copolymer, preparation method thereof and nanomicelle drug-loading system SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2026-01-27 US claimed
EP-4663205-A1 POLYMER-DRUG CONJUGATE, INTERMEDIATE THEREOF, AND USE THEREOF Shanghai Best-Link Bioscience, LLC (CN) 2025-12-17 EP claimed
US-20250255977-A1 EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2025-08-14 US claimed
US-20250223328-A1 TRUNCATED DOMINANT NEGATIVE CEBPB AND CEBPD PROTEINS AND METHODS OF USE FOR DECREASING VIABILITY OF NEOPLASTIC CELLS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2025-07-10 US claimed
US-20250144086-A1 ENHANCEMENT OF TUMOR RESPONSE TO CHEMOTHERAPY BY ACTIVATION OF THE ASMASE/CERAMIDE PATHWAY THROUGH TIMED ADMINISTRATION OF A SHORT-ACTING ANTI-ANGIOGENIC AGENT MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2025-05-08 US claimed
US-20250032413-A1 ULTRASONICALLY-ENHANCED CONTINUOUS AND LARGE-SCALE PRODUCTION METHOD FOR NANO-FORMULATIONS SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2025-01-30 US claimed
WO-2025007955-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) INHIBITOR COMBINATIONS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2025-01-09 WO claimed
US-20240390868-A1 PRODUCTION SYSTEM AND METHOD FOR PRODUCING NANOPARTICLES SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2024-11-28 US claimed
WO-2024222960-A1 POLYMER-DRUG CONJUGATE, INTERMEDIATE THEREOF, AND USE THEREOF 上海弼领生物技术有限公司 2024-10-31 WO claimed
US-5527702-A Callus cell induction from partially submerged explant tissue in liquid medium for preparation of taxanes E. R. SQUIBB & SONS, INC. (US) 1996-06-18 US claimed
CN-1119028-A Method for producing taxane diterpene and method for obtaining cultured cell producing taxane diterpene in high yield MITSUI PETROCHEMICAL IND (JP) 1996-03-20 CN claimed
EP-0696596-A1 Detection, assay and isolation of compounds having the taxane ring skeleton INDENA S.p.A. (IT) 1996-02-14 EP claimed
WO-1996002247-A1 STABLE OIL-IN-WATER EMULSIONS INCORPORATING A TAXINE (TAXOL) AND METHOD OF MAKING SAME HEMAGEN/PFC (US) 1996-02-01 WO claimed
WO-1996002527-A1 SELECTIVE PROCESS FOR THE DEACYLATION AND DEACETYLATION OF TAXOL AND TAXANES HAUSER CHEMICAL RESEARCH, INC. (US) 1996-02-01 WO claimed
EP-0683664-A1 TAXOL FORMULATION THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-11-29 EP claimed
EP-0683232-A1 PROCESS FOR PRODUCING TAXANE DITERPENE AND METHOD OF HARVESTING CULTRED CELL CAPABLE OF PRODUCING TAXANE DITERPENE IN HIGH YIELD MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-11-22 EP claimed
WO-1995013053-A1 TAXOL FORMULATION THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-05-18 WO claimed
US-5415869-A Taxol formulation THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-05-16 US claimed
EP-0568821-A1 Callus cell induction and the preparation of taxanes E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP claimed