SCHEMBL7445046

SCHEMBL7445046

CCC1c2ccc(C#Cc3ccc(C#N)cc3)cc2CC(CC(=O)O)C(=O)N1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.48
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7137255 0.84 GRIN1 (0.41) FFAR1ITGB3ITGA2B
SCHEMBL6942400 0.84 ITGB3 (0.41) FFAR1ITGB3ITGA2BGRM5
SCHEMBL6946924 0.81 POLB (0.46) FFAR1PPARDITGB3ITGA2BALDH1A1
SCHEMBL7445303 0.78 DRD2 (0.41) FFAR1PPARDPPARAITGB3ITGA2B
SCHEMBL6951468 0.75 ITGB3 (0.46) FFAR1PPARDPPARAITGB3ITGA2B
SCHEMBL7445038 0.73 ITGB3 (0.46) L3MBTL1ITGB3ITGA2BTSHR
SCHEMBL7437608 0.68 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7273518 0.67 ABCB1 (0.46) FFAR1L3MBTL1PPARDPPARAITGB3
SCHEMBL7445371 0.67 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7437618 0.67 ITGB3 (0.52) FFAR1ITGB3ITGA2B

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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed