SCHEMBL7303640

SCHEMBL7303640

NCc1ccc(COc2ccc3c(c2)CC(CC(=O)O)CC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.70
ITGA2B P08514 5/20 0.70
FFAR1 O14842 4/20 0.52
RXRA P19793 3/20 0.52
RXRB P28702 3/20 0.52
RXRG P48443 3/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44

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
SCHEMBL7300901 0.93 ITGB3 (0.61) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7300961 0.87 ITGB3 (0.92) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7305023 0.84 ITGB3 (0.71) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4623073 0.84 ITGB3 (0.74) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL3450818 0.83 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL3451880 0.83 ITGB3 (0.72) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL7308788 0.81 ITGB3 (0.81) ITGB3ITGA2BRXRB
SCHEMBL7299294 0.80 ITGB3 (0.52) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL4622244 0.80 ITGB3 (0.68) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL8728467 0.79 ITGB3 (0.60) ITGB3ITGA2BFFAR1RXRARXRB

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