SCHEMBL8880919

SCHEMBL8880919

CCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.54
ITGA2B P08514 15/20 0.54
ITGAV P06756 1/20 0.52
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
P2RX7 Q99572 3/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL8690019 0.91 HRH2 (0.52) ITGB3ITGA2BITGAVP2RX7HRH2
SCHEMBL8880131 0.88 ITGB3 (0.56) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL8880135 0.88 ITGB3 (0.56) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL8880972 0.87 ITGB3 (0.60) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL8519246 0.86 ITGB3 (0.67) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL7276503 0.82 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL9281663 0.82 ITGB3 (0.45) ITGB3ITGA2BP2RX7
SCHEMBL8881449 0.80 HRH2 (0.49) ITGB3ITGA2BHRH2HRH1
SCHEMBL2007668 0.80 ITGB3 (0.58) ITGB3ITGA2BP2RX7
SCHEMBL22756121 0.80 ITGB3 (0.55) ITGB3ITGA2BITGAVP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed