SCHEMBL6813482

SCHEMBL6813482

CCOC(=O)COc1ccc(C(=O)CBr)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ESR1 P03372 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
HPGD P15428 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTPN1 P18031 1/20 0.43
ABCB1 P08183 1/20 0.41
GSK3B P49841 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL2009931 0.89 ALDH1A1 (0.50) L3MBTL1ESR1ALDH1A1CASP3CASP7
Bromide SCHEMBL5787146 0.88 ALDH1A1 (0.49) L3MBTL1ESR1ALDH1A1CASP3CASP7
SCHEMBL7328604 0.88 ESR1 (0.52) L3MBTL1ESR1ALDH1A1CASP3CASP7
SCHEMBL6812958 0.86 ALDH1A1 (0.45) L3MBTL1ESR1ALDH1A1CASP3CASP7
SCHEMBL6809954 0.86 GAA (0.50) L3MBTL1ESR1ALDH1A1CASP3CASP7
SCHEMBL6812575 0.86 NPSR1 (0.49) L3MBTL1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL2012596 0.85 ALDH1A1 (0.51) L3MBTL1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL7462216 0.85 ALDH1A1 (0.60) L3MBTL1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL2009817 0.82 ESR1 (0.42) L3MBTL1ESR1ALDH1A1CASP3CASP7
SCHEMBL2009646 0.81 NPC1 (0.51) L3MBTL1ALDH1A1HPGDKMT2AMEN1

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