SCHEMBL7359284

SCHEMBL7359284

NCCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)OC(=O)C(F)(F)F)CC(=O)N2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
CHRM5 P08912 4/20 0.36
PPARG P37231 4/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ALDH3A1 P30838 4/20 0.35
ALDH2 P05091 2/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7332747 1.00 PPARD (0.36) PPARDPPARACHRM5PPARGCA12
SCHEMBL8842942 0.93 ATM (0.39) CA1CA2CA9
SCHEMBL7332796 0.91 CHRM5 (0.39) CHRM5CA12CA1CA2CA9
SCHEMBL8836823 0.91 CHRM5 (0.39) CHRM5CA12CA1CA2CA9
SCHEMBL7329083 0.89 CHRM5 (0.41) CHRM5PTGDR2
SCHEMBL7331210 0.89 CHRM5 (0.41) CHRM5PTGDR2
SCHEMBL7320353 0.89 ALDH1A1 (0.37) PPARDPPARACHRM5PPARGCA12
SCHEMBL8836947 0.89 ALDH1A1 (0.37) PPARDPPARACHRM5PPARGCA12
Trifluoroacetic Acid SCHEMBL7359277 0.88 PPARD (0.40) PPARDPPARACHRM5PPARGCA12
Trifluoroacetic Acid SCHEMBL7332742 0.88 PPARD (0.40) PPARDPPARACHRM5PPARGCA12

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