SCHEMBL7323534

SCHEMBL7323534

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(c2ccccc2)c2ccc(C#Cc3cccc(CNC(=N)N)c3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
PTGES O14684 3/20 0.32
CARM1 Q86X55 4/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7321726 0.93 ITGB3 (0.39) ITGB3ITGA2BTP53
SCHEMBL7331627 0.90 ITGB3 (0.45) ITGB3ITGA2BPTGESTP53
SCHEMBL7330644 0.90 ITGB3 (0.45) ITGB3ITGA2BTP53
SCHEMBL7319580 0.89 ITGB3 (0.45) ITGB3ITGA2BPTGESALDH1A1CYP1A2
SCHEMBL7333120 0.87 ITGB3 (0.44) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7329607 0.86 ITGB3 (0.43) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7323767 0.86 ITGB3 (0.43) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7329767 0.85 ITGB3 (0.41) ITGB3ITGA2BPTGESTP53
SCHEMBL7330207 0.85 ITGB3 (0.33) ITGB3ITGA2BPTGESCARM1
SCHEMBL7358495 0.85 ITGB3 (0.49) ITGB3ITGA2BTP53MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed