SCHEMBL6813477

SCHEMBL6813477

OCCc1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
ALOX5 P09917 1/20 0.59
BACE1 P56817 1/20 0.59
CA2 P00918 1/20 0.43
ALOX15 P16050 2/20 0.41
IGF1R P08069 1/20 0.41
PDK2 Q15119 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CYP19A1 P11511 1/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
KIF11 P52732 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
ADRA2A P08913 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38

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
SCHEMBL81339 0.84 KIF11 (0.49) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL28396841 0.83 CNR1 (0.58) KDM4EALOX5BACE1ALOX15IGF1R
SCHEMBL29485598 0.82 CA1 (0.54) KDM4EMAPTGAACA2CYP19A1
SCHEMBL14421293 0.82 CA1 (0.54) KDM4EMAPTGAACA2CYP19A1
SCHEMBL3828797 0.81 ALDH1A1 (0.59) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL3637053 0.81 NR3C2 (0.49) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL28646119 0.80 NPC1 (0.50) KDM4EALDH1A1ALOX15IGF1RGPR84
SCHEMBL22500406 0.80 IGF1R (0.58) KDM4EALDH1A1ALOX15IGF1RCYP19A1
SCHEMBL14421294 0.80 CA1 (0.52) KDM4EMAPTGAACA2CYP19A1
SCHEMBL5722021 0.79 TRPV1 (0.58) KDM4EMAPTALDH1A1GAAALOX5

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