SCHEMBL6570405

SCHEMBL6570405

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc2ccc(F)cc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.39
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
F10 P00742 2/20 0.35
SLC2A4 P14672 2/20 0.35
SLC2A8 Q9NY64 1/20 0.35
MAPT P10636 2/20 0.33

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
SCHEMBL6572477 1.00 SLC2A1 (0.39) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6570451 0.93 L3MBTL1 (0.37) SLC2A1F10KMT2ASMN1; SMN2L3MBTL1
Timcodar SCHEMBL1492143 0.93 L3MBTL1 (0.37) SLC2A1F10KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6570448 0.93 L3MBTL1 (0.37) SLC2A1F10KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6570385 0.93 SLC2A4 (0.39) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
Timcodar SCHEMBL3673444 0.93 L3MBTL1 (0.37) SLC2A1F10KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6572534 0.93 SLC2A4 (0.39) SLC2A1TUBB4ATUBBTUBA3CTUBA1B
Timcodar SCHEMBL30929684 0.90 ALDH1A1 (0.36) MAPTKMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL6571615 0.89 F10 (0.35) SLC2A1TUBB1F10MAPTKMT2A
SCHEMBL6573929 0.88 L3MBTL1 (0.40) SLC2A1KMT2AMEN1SMN1; SMN2L3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP claimed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US claimed
EP-0797567-A1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1997-10-01 EP claimed
US-5543423-A USED IN MULTI-DRUG RESISTANCE CANCER THERAPY VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-08-06 US claimed
WO-1996015101-A1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1996-05-23 WO claimed
EP-1420009-A2 Novel amino acid derivatives with improved multi-drug resistance activity Vertex Pharmaceuticals Incorporated (US) 2004-05-19 EP disclosed
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP disclosed
EP-0946190-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH VERTEX PHARMA (US) 2003-09-24 EP disclosed
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-6172086-B1 TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS VERTEX PHARMACEUTICALS INCORPORATED 2001-01-09 US disclosed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US disclosed
EP-0797567-A1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1997-10-01 EP disclosed
WO-1996015101-A1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1996-05-23 WO disclosed