SCHEMBL6809958

SCHEMBL6809958

Oc1c(Cl)cc(CCBr)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.46
TSHR P16473 5/20 0.46
CYP3A4 P08684 3/20 0.46
TTR P02766 2/20 0.46
RECQL P46063 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 2/20 0.42
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 3/20 0.41
ALOX12 P18054 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 2/20 0.39
DBH P09172 1/20 0.38
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL7885118 0.85 HSD17B10 (0.55) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL10831434 0.80 ALDH1A1 (0.41) HSD17B10TSHRCYP3A4RECQLALDH1A1
SCHEMBL2415959 0.80 HSD17B10 (0.50) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL11590958 0.80 HSD17B10 (0.50) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL2927011 0.78 HSD17B10 (0.48) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL4498586 0.76 HSD17B10 (0.46) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL445337 0.76 HSD17B10 (0.46) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL1469394 0.76 TAAR1 (0.56) HSD17B10TSHRCYP3A4TTRRECQL
SCHEMBL10830809 0.76 TDP1 (0.37) TDP1MEN1KMT2A
SCHEMBL7293340 0.76 CYP3A4 (0.46) TSHRCYP3A4ALDH1A1TDP1LMNA

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