SCHEMBL6809954

SCHEMBL6809954

CCOC(=O)COc1ccc(C(=O)CBr)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.43
ESR1 P03372 1/20 0.43
ABCB1 P08183 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
GSK3B P49841 1/20 0.41
PTGDR2 Q9Y5Y4 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) TSHRALDH1A1L3MBTL1MEN1KMT2A
Bromide SCHEMBL5787146 0.88 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7328604 0.88 ESR1 (0.52) GAAALDH1A1THRATHRBL3MBTL1
SCHEMBL6813482 0.86 L3MBTL1 (0.52) ALDH1A1L3MBTL1MEN1KMT2APTPN1
SCHEMBL6812575 0.86 NPSR1 (0.49) TSHRALDH1A1L3MBTL1MEN1MAPT
SCHEMBL6812958 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL7462216 0.85 ALDH1A1 (0.60) TSHRALDH1A1L3MBTL1MEN1MAPT
SCHEMBL2012596 0.85 ALDH1A1 (0.51) GAATSHRALDH1A1THRATHRB
SCHEMBL2009817 0.82 ESR1 (0.42) GAAALDH1A1L3MBTL1MEN1MAPT
SCHEMBL2009646 0.81 NPC1 (0.51) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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