SCHEMBL6809898

SCHEMBL6809898

CCOC(=O)COc1ccc(CCBr)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NTSR1 P30989 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ADORA2B P29275 1/20 0.46
PTPN1 P18031 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL6813506 0.88 GAA (0.52) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL6577597 0.84 KDM4E (0.50) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL6575124 0.83 GAA (0.49) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL8603637 0.82 HPGD (0.50) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL8428121 0.81 PTPN1 (0.55) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL23605917 0.79 GAA (0.52) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL24133363 0.79 KDM4E (0.52) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL6813425 0.79 LMNA (0.46) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL27780118 0.78 ABCB1 (0.46) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL9080295 0.77 HPGD (0.53) ALDH1A1GAAKDM4EHSD17B10HPGD

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