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Taxusin

Taxusin

SCHEMBL6017679

C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
Taxusin SCHEMBL4990660 1.00 NLRP3 (0.31) NLRP3ALDH1A1TP53MAPTMAPK1
SCHEMBL1891255 0.85 OPRK1 (0.33) NLRP3OPRK1
SCHEMBL31215165 0.81 RAB9A (0.32) RAB9ASMN1; SMN2
SCHEMBL24565373 0.78 ALDH1A1 (0.34) ALDH1A1TP53MAPTMAPK1
SCHEMBL24565382 0.73 ALDH1A1 (0.31) ALDH1A1TP53MAPTMAPK1
SCHEMBL3510752 0.67 NLRP3 (0.40) NLRP3
SCHEMBL30515432 0.67 ALOX15 (0.36) NLRP3RAB9ASMN1; SMN2
SCHEMBL11194228 0.67 ALOX15 (0.36) NLRP3RAB9ASMN1; SMN2
SCHEMBL1892483 0.65 HDAC6 (0.50) NLRP3
SCHEMBL3511639 0.65 HDAC6 (0.50) NLRP3

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

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005283-B2 Cytochrome P450 oxygenases and their uses WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-02-28 — — US disclosed
US-20040236089-A1 Cytochrome P450 oxygenases and their uses WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2004-11-25 — — US disclosed
US-6787343-B2 PROTEIN FOR USE AS TOOL IN THE TREATMENT OF CANCER WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2004-09-07 — — US disclosed
US-20030166176-A1 Taxoid-14-beta-hydroxylases and methods for their use WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2003-09-04 — — US disclosed
US-20030077796-A1 Cytochrome P450 oxygenases and their uses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 — — US disclosed