SCHEMBL7334232

SCHEMBL7334232

CC(=O)OC(=O)CCN1CC(=O)N(C)c2ccc(NC(=O)CCCC(=N)N)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
PTPRC P08575 4/20 0.37
ITGA2 P17301 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.34
PTPN13 Q12923 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSL P07711 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TERT O14746 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL7329437 0.98 ITGB3 (0.45) ITGB3ITGA2BPTPRCITGA2ALDH1A1
SCHEMBL7323790 0.90 ITGB3 (0.45) ITGB3ITGA2BPTPRCITGA2ALDH1A1
Acetic Acid SCHEMBL7334226 0.89 ITGB3 (0.56) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL9319480 0.88 ITGB3 (0.45) ITGB3ITGA2BPRMT5WDR77
SCHEMBL9318045 0.87 ITGB3 (0.45) ITGB3ITGA2BALDH1A1KDM4EHPGD
SCHEMBL7358608 0.82 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77
SCHEMBL9318262 0.80 ITGB3 (0.51) ITGB3ITGA2BLMNAPRMT5WDR77
SCHEMBL8837011 0.77 ITGB3 (0.40) ITGB3ITGA2BPTPRCITGA2ALDH1A1
Acetic Acid SCHEMBL9319478 0.76 ITGB3 (0.56) ITGB3ITGA2BITGA2ALDH1A1KDM4E
SCHEMBL7326457 0.74 ITGB3 (0.56) ITGB3ITGA2BITGA2

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