SCHEMBL6813660

SCHEMBL6813660

OCCc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
FFAR1 O14842 1/20 0.49
HTT P42858 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
FOLH1 Q04609 1/20 0.48
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR9 Q9NR96 1/20 0.45
POLB P06746 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
SCHEMBL16511883 0.89 LTA4H (0.51) CYP4F2CYP4A11RAB9ASMN1; SMN2USP28
SCHEMBL1989845 0.89 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2USP28USP25HTT
SCHEMBL360371 0.85 CYP4F2 (0.63) CYP4F2CYP4A11FFAR4FFAR1LTA4H
SCHEMBL12563215 0.84 RAB9A (0.59) RAB9ASMN1; SMN2USP28USP25FFAR4
SCHEMBL16050390 0.84 FFAR4 (0.71) FFAR4FFAR1THRATHRB
SCHEMBL3237202 0.82 RAB9A (0.56) RAB9ASMN1; SMN2THRATHRBFOLH1
SCHEMBL12772163 0.82 RAB9A (0.56) RAB9ASMN1; SMN2THRATHRBFOLH1
SCHEMBL1995693 0.82 RAB9A (0.56) RAB9ASMN1; SMN2THRATHRBFOLH1
SCHEMBL1895781 0.81 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2FFAR4FFAR1
SCHEMBL10725217 0.81 FFAR4 (0.72) CYP4F2CYP4A11FFAR4FFAR1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1242983-C Phenoxyacetic acid derivatives and medicinal compositions containing the same KISSEI PHARMACEUTICAL (JP) 2006-02-22 CN disclosed
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
CN-1308603-A Phenoxyacetic acid derivatives and medicinal compositions containing the same KISSEI PHARMACEUTICAL (JP) 2001-08-15 CN disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed