SCHEMBL6676450

SCHEMBL6676450

O=C(O)CC1Cc2cc(C(=O)O)ccc2CNC1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.60
ITGA2B P08514 11/20 0.60
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TDP2 O95551 1/20 0.37
SRD5A2 P31213 1/20 0.36
ITGAV P06756 2/20 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
SCHEMBL6676454 1.00 ITGB3 (0.60) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL8364227 0.95 ITGB3 (0.54) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL6679721 0.81 ITGB3 (0.51) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL6679726 0.81 ITGB3 (0.51) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL2784223 0.80 ITGB3 (0.47) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL2784278 0.80 ITGB3 (0.47) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL2786680 0.80 ITGB3 (0.47) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL7438417 0.77 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7438405 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6952282 0.76 ITGB3 (0.66) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
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
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed