SCHEMBL6953271

SCHEMBL6953271

CN1Cc2ccc(C(=O)OCc3ccccc3)cc2C[C@H](CC(=O)O)C1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.52
ITGA2B P08514 12/20 0.52
ITGAV P06756 2/20 0.47
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL6953267 1.00 ITGB3 (0.52) ITGB3ITGA2BITGAVSRD5A1SRD5A2
SCHEMBL6673332 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAVSRD5A1SRD5A2
SCHEMBL6679291 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAVSRD5A1SRD5A2
SCHEMBL6948601 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6948600 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7541901 0.79 ITGB3 (0.51) ITGB3ITGA2BITGAVALDH1A1MAPT
SCHEMBL6679721 0.79 ITGB3 (0.51) ITGB3ITGA2BSRD5A1SRD5A2LMNA
SCHEMBL6679726 0.79 ITGB3 (0.51) ITGB3ITGA2BSRD5A1SRD5A2LMNA
SCHEMBL7441878 0.78 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL6676168 0.78 ITGB3 (0.56) ITGB3ITGA2BITGAV

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