SCHEMBL6813807

SCHEMBL6813807

CCOC(=O)COc1ccc(CCBr)cc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.48
▸ ADRB3 P13945 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ PPARA Q07869 2/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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 0.88 ESR1 (0.52) ESR1ADRB3ALDH1A1PPARAABCB1
SCHEMBL6813752 0.86 ALDH1A1 (0.45) ESR1ADRB3ALDH1A1PPARAABCB1
SCHEMBL6813613 0.86 GAA (0.50) ESR1ADRB3ALDH1A1PPARAABCB1
SCHEMBL6813693 0.86 ALDH1A1 (0.48) ALDH1A1PPARAABCB1PPARGMEN1
SCHEMBL6814448 0.85 ALDH1A1 (0.44) ESR1ADRB3ALDH1A1PPARAABCB1
SCHEMBL6818105 0.85 ADRB3 (0.57) ADRB3ALDH1A1PPARAABCB1PPARG
SCHEMBL6814065 0.83 ABCB1 (0.47) ESR1ADRB3ALDH1A1PPARAABCB1
SCHEMBL6813655 0.82 CYP2D6 (0.44) ADRB3ALDH1A1PPARAABCB1PPARG
SCHEMBL6813496 0.82 RXRA (0.46) ESR1ADRB3ALDH1A1PPARAABCB1
SCHEMBL6813683 0.81 LMNA (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A

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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