SCHEMBL7326634

SCHEMBL7326634

CCOC(=O)CCN1CC(=O)N(Cc2ccc(OC)cc2)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
DYRK1A Q13627 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 4/20 0.36
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL7325841 1.00 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DYRK1AHDAC6
SCHEMBL7331215 0.92 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HDAC6DRD2
SCHEMBL7330496 0.92 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HDAC6DRD2
SCHEMBL7356624 0.92 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL7324584 0.91 PPARD (0.38) TPSAB1TPSD1TPSG1HDAC6DRD2
SCHEMBL7324616 0.91 PPARD (0.38) TPSAB1TPSD1TPSG1HDAC6DRD2
SCHEMBL7321682 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HDAC6DRD2
SCHEMBL8842938 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HDAC6DRD2
SCHEMBL7334083 0.90 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DYRK1ADRD2
SCHEMBL7326364 0.90 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DYRK1ADRD2

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 9 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
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