SCHEMBL6814448

SCHEMBL6814448

CCOC(=O)COc1ccc(CCBr)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ ADRB3 P13945 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ USP2 O75604 1/20 0.40

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
SCHEMBL6813642 0.86 ESR1 (0.52) ALDH1A1PPARGPPARAABCB1FFAR1
SCHEMBL22139067 0.86 TNKS2 (0.51) ALDH1A1PPARGPPARAABCB1FFAR1
SCHEMBL6813693 0.85 ALDH1A1 (0.48) ALDH1A1PPARGPPARAABCB1LMNA
SCHEMBL6813807 0.85 ESR1 (0.48) ALDH1A1PPARGPPARAABCB1ADRB3
SCHEMBL6813752 0.85 ALDH1A1 (0.45) ALDH1A1PPARGPPARAABCB1ADRB3
SCHEMBL6813613 0.85 GAA (0.50) ALDH1A1PPARGPPARAABCB1ADRB3
SCHEMBL6818105 0.84 ADRB3 (0.57) ALDH1A1PPARGPPARAABCB1ADRB3
SCHEMBL6813496 0.84 RXRA (0.46) ALDH1A1PPARGPPARAABCB1FFAR1
SCHEMBL6814065 0.82 ABCB1 (0.47) ALDH1A1PPARGPPARAABCB1ADRB3
SCHEMBL6813655 0.81 CYP2D6 (0.44) ALDH1A1PPARGPPARAABCB1ADRB3

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
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