SCHEMBL6812926

SCHEMBL6812926

CCOC(=O)COc1cc(C)c(C(=O)CBr)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.44
PPOX P50336 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ABCB1 P08183 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 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
SCHEMBL6812681 0.91 L3MBTL1 (0.50) GAAPKML3MBTL1TDP1TSHR
SCHEMBL2012377 0.88 GAA (0.46) GAAPKML3MBTL1TDP1TSHR
SCHEMBL6813799 0.88 ALDH1A1 (0.44) GAAL3MBTL1TSHRALDH1A1ABCB1
SCHEMBL2012596 0.82 ALDH1A1 (0.51) GAAPKML3MBTL1TDP1TSHR
SCHEMBL6809817 0.82 GAA (0.47) GAAPKML3MBTL1TDP1TSHR
SCHEMBL20507490 0.79 HPGDS (0.45) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL6558629 0.78 LMNA (0.70) GAAPKML3MBTL1TDP1TSHR
SCHEMBL6809927 0.77 L3MBTL1 (0.50) GAAPKML3MBTL1TDP1TSHR
SCHEMBL8686301 0.77 LMNA (0.68) GAAL3MBTL1TDP1TSHRLMNA
SCHEMBL2010455 0.77 HMGCR (0.53) L3MBTL1TSHRLMNAALDH1A1ABCB1

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