SCHEMBL7325330

SCHEMBL7325330

COC(=O)C(CN1CC(=O)N(C)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
MAPT P10636 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SYK P43405 1/20 0.40
CTSL P07711 3/20 0.39
CTSB P07858 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
FOLH1 Q04609 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TGM2 P21980 1/20 0.37

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
SCHEMBL7332884 0.86 HDAC1 (0.40) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL7330617 0.86 SIGMAR1 (0.42) KLK7KLK5MAPTPOLBMAPK1
Trifluoroacetic Acid SCHEMBL7321114 0.83 ITGB3 (0.39) ITGB3ITGA2BSIRT2SIRT1CTSL
Trifluoroacetic Acid SCHEMBL8837001 0.81 ITGB3 (0.46) ITGB3ITGA2BCTSLCTSB
SCHEMBL7331730 0.81 CTSL (0.42) CTSLCTSB
SCHEMBL7329581 0.76 GABRA1 (0.33) ITGB3ITGA2B
SCHEMBL7334319 0.75 SIGMAR1 (0.37) MAPTMEN1KMT2ASIGMAR1DRD2
SCHEMBL7321741 0.73 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2ASIGMAR1
SCHEMBL30043940 0.73 SIRT2 (0.64) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL13430768 0.73 SIRT2 (0.64) KLK7KLK5MAPTITGB3ITGA2B

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 7 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed