SCHEMBL7299294

SCHEMBL7299294

NCc1ccc(COc2ccc3c(c2)CC(CC(=O)O)CO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.52
ITGA2B P08514 5/20 0.52
ALOX5 P09917 1/20 0.46
FFAR1 O14842 8/20 0.45
MTNR1A P48039 2/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL7309034 0.88 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7302761 0.85 ITGB3 (0.58) ITGB3ITGA2BALOX5FFAR1MTNR1A
SCHEMBL7303640 0.80 ITGB3 (0.70) ITGB3ITGA2BFFAR1RXRARXRB
SCHEMBL24229503 0.77 MAOB (0.52) ALOX5MTNR1A
SCHEMBL7305871 0.77 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL8889966 0.76 NR4A2 (0.53) ALOX5
SCHEMBL7307240 0.76 ITGB3 (0.54) ITGB3ITGA2BMTNR1A
SCHEMBL6554194 0.75 ITGB3 (0.57) ITGB3ITGA2BALOX5MTNR1A
SCHEMBL6554201 0.75 ITGB3 (0.57) ITGB3ITGA2BALOX5MTNR1A
SCHEMBL7302032 0.74 MAOB (0.46) FFAR1MTNR1A

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