SCHEMBL7328979

SCHEMBL7328979

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
UCHL1 P09936 1/20 0.40
UCHL3 P15374 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
APAF1 O14727 1/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CHRM5 P08912 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7323943 0.91 CHRM5 (0.40) HTTUCHL1UCHL3MEN1KMT2A
SCHEMBL7329514 0.88 HSP90AA1 (0.43) KDM4EUCHL1UCHL3CHRM5CA12
SCHEMBL7335737 0.88 CTRB1 (0.41) UCHL1UCHL3MEN1KMT2AALDH1A1
SCHEMBL7329007 0.85 ALDH1A1 (0.37) HTTKDM4EMEN1KMT2AGAA
SCHEMBL7330263 0.84 CCR8 (0.44) KDM4EMEN1KMT2AGAALMNA
SCHEMBL7328570 0.83 POLB (0.45) HTTCASP3CA12CA9LMNA
SCHEMBL7325381 0.82 ITGB3 (0.46) MEN1KMT2ACASP3ALDH1A1KAT2B
SCHEMBL7319614 0.80 TNF (0.38) KDM4EKMT2ALMNANPSR1ALDH1A1
SCHEMBL7325841 0.79 TPSAB1 (0.37) HDAC6HTTKDM4EKMT2ALMNA
SCHEMBL7326634 0.79 TPSAB1 (0.37) HDAC6HTTKDM4EKMT2ALMNA

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