SCHEMBL6814065

SCHEMBL6814065

CCOC(=O)COc1ccc(CCBr)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
ADRB3 P13945 2/20 0.41
F9 P00740 1/20 0.41
ESR1 P03372 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL6810024 0.85 ABCB1 (0.46) ABCB1ALDH1A1PPARGPPARACASP3
SCHEMBL6813642 0.84 ESR1 (0.52) ABCB1ALDH1A1PPARGPPARACASP3
SCHEMBL6813693 0.83 ALDH1A1 (0.48) ABCB1ALDH1A1PPARGPPARA
SCHEMBL6813807 0.83 ESR1 (0.48) ABCB1ALDH1A1PPARGPPARACASP3
SCHEMBL6813613 0.83 GAA (0.50) ABCB1ALDH1A1PPARGPPARAADRB3
SCHEMBL6813752 0.83 ALDH1A1 (0.45) ABCB1ALDH1A1PPARGPPARACASP3
SCHEMBL6814448 0.82 ALDH1A1 (0.44) ABCB1ALDH1A1PPARGPPARACASP3
SCHEMBL6818105 0.82 ADRB3 (0.57) ABCB1ALDH1A1PPARGPPARAADRB3
SCHEMBL1993314 0.82 PTGDR2 (0.54) ABCB1ALDH1A1CASP3CASP7CASP9
SCHEMBL6813658 0.80 ALDH1A1 (0.43) ABCB1ALDH1A1PPARGPPARACASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed