SCHEMBL7300477

SCHEMBL7300477

CCC1c2cc(COc3ccc(C#N)cc3)ccc2CCC1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.49
PPARD Q03181 5/20 0.49
RAB9A P51151 1/20 0.45
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 1/20 0.42
S1PR1 P21453 3/20 0.42
PPARG P37231 1/20 0.41
KCNH2 Q12809 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
RXRB P28702 1/20 0.39

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
SCHEMBL7304078 0.83 PPARD (0.39) PPARAPPARDRAB9AFFAR1S1PR1
SCHEMBL7312304 0.83 PPARA (0.53) PPARAPPARDRAB9AMAOBMAOA
SCHEMBL7300008 0.78 ITGB3 (0.41) PPARAPPARDRAB9AFFAR1S1PR1
SCHEMBL7297140 0.77 MCHR1 (0.47) ITGB3ITGA2B
SCHEMBL7306501 0.77 MCHR1 (0.52) RAB9AITGB3ITGA2B
SCHEMBL7303281 0.77 PGR (0.40) PPARAPPARD
SCHEMBL7302216 0.74 MAOB (0.47) PPARAPPARDRAB9AMAOBMAOA
SCHEMBL7300393 0.73 AKR1C4 (0.42) PPARAPPARDFFAR1
SCHEMBL7299593 0.73 ALDH1A1 (0.40) PPARAPPARDITGB3ITGA2B
SCHEMBL7307184 0.72 MAOB (0.46) PPARAPPARDRAB9AMAOBMAOA

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