SCHEMBL7363500

SCHEMBL7363500

CCOC(=O)CCN1CC(=O)N(CC)c2ccc(O)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TNF P01375 2/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA1 P14867 2/20 0.36

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
SCHEMBL7424967 0.90 ALDH1A1 (0.41) ALDH1A1TNFHSD17B10KDM4EGLA
SCHEMBL7419551 0.89 ALDH1A1 (0.41) ALDH1A1TNFHSD17B10KDM4EGLA
SCHEMBL7332526 0.89 ITGB3 (0.46) ALDH1A1TNFHSD17B10KDM4EGLA
SCHEMBL7355386 0.89 ALDH1A1 (0.38) ALDH1A1TNFHSD17B10KDM4EGLA
SCHEMBL7321392 0.85 TNF (0.38) ALDH1A1TNFHSD17B10KDM4EGLA
SCHEMBL7393832 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL7332949 0.82 ALDH1A1 (0.44) ALDH1A1TNFHSD17B10KDM4EGLA
SCHEMBL7328381 0.81 MAOB (0.41) MEN1RAB9AKMT2AITGB3ITGA2B
SCHEMBL7325785 0.80 BRD4 (0.43) ALDH1A1TNFMEN1KMT2AITGB3
SCHEMBL7325904 0.79 BRD4 (0.42) ALDH1A1TNFMEN1KMT2AITGB3

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-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed