SCHEMBL6813693

SCHEMBL6813693

CCOC(=O)COc1ccc(CCBr)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
ABCB1 P08183 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL6813530 0.88 APP (0.52) ALDH1A1LMNAABCB1PPARGPPARA
SCHEMBL6813642 0.88 ESR1 (0.52) ALDH1A1KMT2AMEN1ABCB1PPARG
SCHEMBL6809923 0.88 CYP4F2 (0.54) ALDH1A1KMT2AMEN1HTTL3MBTL1
SCHEMBL6813613 0.86 GAA (0.50) ALDH1A1ABCB1PPARGPPARA
SCHEMBL6813752 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNAABCB1
SCHEMBL6813807 0.86 ESR1 (0.48) ALDH1A1KMT2AMEN1L3MBTL1ABCB1
SCHEMBL6818105 0.85 ADRB3 (0.57) ALDH1A1KMT2AMEN1L3MBTL1ABCB1
SCHEMBL6814448 0.85 ALDH1A1 (0.44) ALDH1A1LMNAABCB1PPARGPPARA
SCHEMBL6814065 0.83 ABCB1 (0.47) ALDH1A1ABCB1PPARGPPARA
SCHEMBL6813496 0.82 RXRA (0.46) ALDH1A1ABCB1PPARGPPARA

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