SCHEMBL6549025

SCHEMBL6549025

CC(Oc1cccc(C(F)(F)F)c1)C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
PPARA Q07869 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.45
CES2 O00748 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL6550208 0.86 PPARG (0.59) PPARGPPARANPSR1KDM4EALDH1A1
SCHEMBL4780627 0.84 EPHX1 (0.51) PPARGPPARANPSR1KDM4EALDH1A1
SCHEMBL11223862 0.83 NPSR1 (0.52) PPARGPPARANPSR1KDM4EALDH1A1
SCHEMBL9572364 0.82 NPSR1 (0.46) PPARGPPARANPSR1KDM4EMAPT
SCHEMBL9572375 0.82 NPSR1 (0.46) PPARGPPARANPSR1KDM4EMAPT
SCHEMBL9572362 0.81 RIPK2 (0.40) PPARGPPARANPSR1KDM4EMAPT
SCHEMBL10966320 0.81 THRB (0.41) PPARGNPSR1MEN1KMT2ACYP1A2
SCHEMBL6547953 0.81 PPARG (0.58) PPARGPPARANPSR1KDM4EALDH1A1
SCHEMBL5207539 0.81 PPARG (0.51) PPARGPPARANPSR1KDM4EALDH1A1
SCHEMBL178468 0.80 ALDH1A1 (0.53) PPARGPPARANPSR1KDM4EALDH1A1

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
EP-1180515-B9 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-12-01 EP disclosed
EP-1180515-B1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES UBE INDUSTRIES (JP) 2004-04-14 EP disclosed
US-6706664-B1 Benzoxazole compounds, process for the preparation thereof and herbicides UBE INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1180515-A1 BENZOXAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND HERBICIDES Ube Industries, Ltd. (JP) 2002-02-20 EP disclosed
EP-0046184-B1 ARYLOXYALKYL ISOCYANATES AND METHODS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1983-11-23 EP disclosed