SCHEMBL7323548

SCHEMBL7323548

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(C#CCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
ADORA3 P0DMS8 7/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CNR1 P21554 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL7326692 0.93 ADORA3 (0.36) ITGB3ITGA2BADORA3DDB1CRBN
SCHEMBL7331758 0.89 ITGB3 (0.46) ITGB3ITGA2BADORA3CNR1HDAC1
SCHEMBL7326612 0.89 ITGB3 (0.38) ITGB3ITGA2BADORA3CNR1
SCHEMBL7319105 0.89 ITGB3 (0.39) ITGB3ITGA2BADORA3DDB1CRBN
SCHEMBL7330156 0.87 CNR1 (0.37) ITGB3ITGA2BADORA3DDB1CRBN
SCHEMBL7359849 0.86 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7323162 0.86 ITGB3 (0.39) ITGB3ITGA2BDDB1CRBNUTS2R
SCHEMBL7335699 0.86 PDCD1 (0.38) UTS2RTPSAB1TPSD1TPSG1PDCD1
SCHEMBL8843104 0.85 UTS2R (0.33) ITGB3ITGA2BUTS2RTPSAB1TPSD1
SCHEMBL7334551 0.84 UTS2R (0.37) ITGB3ITGA2BADORA3CNR1HDAC1

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