SCHEMBL10690637

SCHEMBL10690637

CCC=C(CC(C)Oc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
SLC6A9 P48067 7/20 0.43
FFAR1 O14842 2/20 0.42
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
ALOX5 P09917 1/20 0.40
PSEN1 P49768 1/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MTOR P42345 2/20 0.40
RAB9A P51151 2/20 0.40
KCNK2 O95069 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1C Q13936 2/20 0.40

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
SCHEMBL21991863 0.82 PPARG (0.51) PPARGPPARASLC6A9FFAR1SLC6A4
SCHEMBL21991923 0.78 FNTA (0.51) PPARGPPARASLC6A9FFAR1MEN1
SCHEMBL21991857 0.77 NPC1 (0.44) PPARGPPARASLC6A9FFAR1NPC1
SCHEMBL21992648 0.76 PPARG (0.46) PPARGPPARASLC6A9SLC6A4SLC6A2
SCHEMBL21991266 0.75 PPARG (0.43) PPARGPPARASLC6A9FFAR1
SCHEMBL21991294 0.75 PPARG (0.45) PPARGPPARASLC6A9CYP3A4
SCHEMBL987532 0.74 PPARG (0.44) PPARGPPARASLC6A9FFAR1ALOX5
SCHEMBL987529 0.74 PPARG (0.44) PPARGPPARASLC6A9FFAR1ALOX5
SCHEMBL21991320 0.74 NPC1 (0.41) PPARGPPARAFFAR1NPC1RAB9A
SCHEMBL15473214 0.73 SLC6A4 (0.44) PPARGPPARASLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
US-4632696-A POSTEMERGENCE, PREEMERGENCE APPLICATIONS BASF AKTIENGESELLSCHAFT (DE) 1986-12-30 US disclosed
US-4497651-A Dichloroquinoline derivatives for use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed
US-4494983-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-01-22 US disclosed
US-4422864-A Cyclohexanedione derivatives, their preparation and herbicides containing them BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4363651-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-12-14 US disclosed