SCHEMBL7329981

SCHEMBL7329981

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(CCC(=O)NCC(N)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LTA4H P09960 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL7326616 0.92 MEN1 (0.33) NR1H2ALDH1A1GAA
SCHEMBL7328014 0.90 HDAC1 (0.36) NR1H2ITGB3ITGA2BLTA4HGPR119
SCHEMBL7330636 0.89 ITGB3 (0.39) NR1H2ITGB3ITGA2B
SCHEMBL7326098 0.89 RXRA (0.33) NR1H2ITGB3ITGA2B
SCHEMBL7330487 0.85 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7333356 0.85 NR1H2 (0.33) NR1H2
SCHEMBL7330824 0.84 NR1H2 (0.33) NR1H2
SCHEMBL7325806 0.84 MEN1 (0.34) NR1H2ITGB3ITGA2BLTA4H
SCHEMBL7335699 0.82 PDCD1 (0.38) PDCD1CD274
SCHEMBL7333894 0.82 HDAC1 (0.35) NR1H2ITGB3ITGA2BLTA4H

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-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
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
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