SCHEMBL10509245

SCHEMBL10509245

CC(C)SC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.52
MRGPRX4 Q96LA9 14/20 0.48
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL10507700 0.83 FFAR1 (0.62) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10507578 0.83 FFAR1 (0.56) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10510999 0.82 FFAR1 (0.48) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10510653 0.81 FFAR1 (0.45) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10509080 0.80 FFAR1 (0.48) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10509502 0.80 MRGPRX4 (0.57) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10508984 0.79 FFAR1 (0.53) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10509904 0.79 MEN1 (0.61) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10507759 0.78 MRGPRX4 (0.50) FFAR1MRGPRX4PPARGPPARDPPARA
SCHEMBL10509965 0.78 FFAR1 (0.51) FFAR1MRGPRX4PPARGPPARDPPARA

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-0161529-B1 2-NITRO-5-(2'-CHLORO-4'TRIFLUOROMETHYLPHENOXY)PHENYLACETIC ESTER, THIOESTER AND AMIDE, PROCESS FOR PREPARATION THEROF, HERBICIDAL COMPOSITION, AND METHOD FOR DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-07-12 EP disclosed
US-4698094-A 2-nitro-5-(2'chloro-4'trifluoromethylphenoxy)-phenylacetic esters, herbicidal composition, and method for destruction of undesirable weeds ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-10-06 US disclosed
EP-0161529-A2 2-nitro-5-(2'-chloro-4'trifluoromethylphenoxy)phenylacetic ester, thioester and amide, process for preparation therof, herbicidal composition, and method for destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP disclosed