SCHEMBL7300901

SCHEMBL7300901

NCc1ccc(OCc2ccc3c(c2)CC(CC(=O)O)CC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.61
ITGA2B P08514 5/20 0.61
FFAR1 O14842 6/20 0.50
RXRB P28702 4/20 0.49
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
RXRA P19793 3/20 0.44
RXRG P48443 3/20 0.44
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7303640 0.93 ITGB3 (0.70) ITGB3ITGA2BFFAR1RXRBRXRA
SCHEMBL7308788 0.87 ITGB3 (0.81) ITGB3ITGA2BRXRB
SCHEMBL7307011 0.84 ITGB3 (0.62) ITGB3ITGA2BFFAR1RXRBCYP4F2
SCHEMBL7300961 0.81 ITGB3 (0.92) ITGB3ITGA2BRXRBRXRARXRG
SCHEMBL3451880 0.79 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRBRXRA
SCHEMBL7305023 0.78 ITGB3 (0.71) ITGB3ITGA2BFFAR1RXRBRXRA
SCHEMBL4622244 0.78 ITGB3 (0.68) ITGB3ITGA2BFFAR1RXRBRXRA
SCHEMBL7305638 0.77 ITGB3 (0.55) ITGB3ITGA2BNPC1RAB9A
SCHEMBL4623073 0.77 ITGB3 (0.74) ITGB3ITGA2BFFAR1RXRBRXRA
SCHEMBL3450818 0.76 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRBRXRA

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