SCHEMBL6942400

SCHEMBL6942400

CCC1c2ccc(O)cc2CC(CC(=O)O)C(=O)N1CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
FFAR1 O14842 2/20 0.38
OPRM1 P35372 3/20 0.37
MDM2 Q00987 2/20 0.37
OPRK1 P41145 2/20 0.37
TP53 P04637 1/20 0.37
GRM5 P41594 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL6946924 0.87 POLB (0.46) ITGB3ITGA2BFFAR1TP53GRIN1
SCHEMBL7445046 0.84 FFAR1 (0.48) ITGB3ITGA2BFFAR1GRM5
SCHEMBL7445303 0.84 DRD2 (0.41) ITGB3ITGA2BFFAR1POLBALOX15
SCHEMBL6951468 0.81 ITGB3 (0.46) ITGB3ITGA2BFFAR1TP53POLB
SCHEMBL7137255 0.78 GRIN1 (0.41) ITGB3ITGA2BFFAR1GRIN1SIGMAR1
SCHEMBL6420263 0.76 ITGB3 (0.56) ITGB3ITGA2BOPRM1OPRK1
SCHEMBL6420268 0.76 ITGB3 (0.56) ITGB3ITGA2BOPRM1OPRK1
SCHEMBL538358 0.74 ITGB3 (0.39) ITGB3ITGA2BOPRM1MDM2OPRK1
SCHEMBL538079 0.74 ITGB3 (0.39) ITGB3ITGA2BOPRM1MDM2OPRK1
SCHEMBL6951755 0.71 ALOX15 (0.39) POLBALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
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