SCHEMBL8880972

SCHEMBL8880972

O=C(O)COC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.60
ITGA2B P08514 3/20 0.60
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
TGM1 P22735 1/20 0.51
TACR1 P25103 1/20 0.51
ACE P12821 1/20 0.50
CTSK P43235 9/20 0.49
CTSB P07858 7/20 0.49
CTSS P25774 6/20 0.49
CTSL P07711 2/20 0.49
P2RX7 Q99572 1/20 0.49
CASP1 P29466 1/20 0.49
HRH1 P35367 1/20 0.48

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
SCHEMBL8519246 0.96 ITGB3 (0.67) ITGB3ITGA2BF13A1TGM2TGM1
SCHEMBL8880131 0.93 ITGB3 (0.56) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL8880135 0.93 ITGB3 (0.56) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL8881510 0.89 CTSK (0.63) CTSKCTSBCTSSCTSL
SCHEMBL8880919 0.87 ITGB3 (0.54) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL8881734 0.86 NMBR (0.58) TACR1ACECASP1
SCHEMBL7159739 0.86 ITGB3 (0.59) ITGB3ITGA2BF13A1TGM2TGM1
SCHEMBL7159741 0.86 ITGB3 (0.59) ITGB3ITGA2BF13A1TGM2TGM1
SCHEMBL11257246 0.85 TACR1 (0.63) TGM2TACR1CTSKCTSBCTSS
SCHEMBL11257249 0.85 TACR1 (0.63) TGM2TACR1CTSKCTSBCTSS

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-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
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed