SCHEMBL7305871

SCHEMBL7305871

NCc1ccc(C(=O)Nc2ccc3c(c2)CC(CC(=O)O)CO3)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.78
ITGA2B P08514 14/20 0.78
HDAC1 Q13547 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PLAU P00749 1/20 0.41
AGBL2 Q5U5Z8 1/20 0.41

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
SCHEMBL7299540 0.88 ITGB3 (1.00) ITGB3ITGA2BPLAU
SCHEMBL7301286 0.87 ITGB3 (0.86) ITGB3ITGA2BHDAC1NPC1RAB9A
Hydrochloric Acid SCHEMBL7315319 0.87 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7309708 0.81 ITGB3 (0.88) ITGB3ITGA2BNPC1RAB9APLAU
SCHEMBL7305310 0.81 ITGB3 (0.78) ITGB3ITGA2BNPC1RAB9APLAU
SCHEMBL7387707 0.81 ITGB3 (1.00) ITGB3ITGA2BHDAC1NPC1RAB9A
SCHEMBL7310729 0.81 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7393898 0.81 ITGB3 (0.85) ITGB3ITGA2BNPC1RAB9A
SCHEMBL7431646 0.81 ITGB3 (0.85) ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL7389334 0.80 ITGB3 (0.98) ITGB3ITGA2BHDAC1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed