SCHEMBL7361484

SCHEMBL7361484

CC(C)(C(=O)O)N1CC(=O)N(Cc2ccc(Cl)cc2)c2ccc(CCCCCCN)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 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
ALDH3A1 P30838 5/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
CPB2 Q96IY4 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 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
SCHEMBL7355543 0.88 ITGB3 (0.39) PPARGPPARDPPARA
SCHEMBL7361583 0.85 PPARG (0.33) PPARGPPARDPPARAALDH3A1ALDH1A1
SCHEMBL7361482 0.82 SDCBP (0.37) PPARAPTGDR2CA12CA1CA2
SCHEMBL7356465 0.81 PTGDR2 (0.42) PTGDR2CA12CA1CA2CA9
SCHEMBL7361488 0.81 HDAC1 (0.37) PTGDR2CA12CA1CA2CA9
SCHEMBL7362167 0.81 NAAA (0.39) PTGDR2CA12CA1CA2CA9
SCHEMBL7359440 0.80 MAP4K4 (0.39) PPARGPPARDPPARA
SCHEMBL9282885 0.77 ALDH1A1 (0.36) PTGDR2CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL7331327 0.74 ITGB3 (0.41) PTGDR2CPB2
SCHEMBL7361697 0.73 ITGB3 (0.43) PTGDR2CA1CA2CA9ALDH1A1

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed