SCHEMBL7932267

SCHEMBL7932267

FC(F)(F)/C(=C\CCc1cccc(Oc2ccccc2)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
CETP P11597 5/20 0.42
MAPK14 Q16539 2/20 0.41
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FDFT1 P37268 3/20 0.39
GPR52 Q9Y2T5 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 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
SCHEMBL7932271 1.00 AKR1C3 (0.42) AKR1C3CETPMAPK14FFAR1KDM4E
SCHEMBL9804383 0.93 CETP (0.41) AKR1C3CETPMAPK14FFAR1FFAR4
SCHEMBL9804381 0.93 CETP (0.41) AKR1C3CETPMAPK14FFAR1FFAR4
SCHEMBL9804518 0.92 PPARG (0.44) CETPMAPK14FFAR1ALDH1A1LMNA
SCHEMBL9804529 0.92 PPARG (0.44) CETPMAPK14FFAR1ALDH1A1LMNA
SCHEMBL9804369 0.92 PPARD (0.44) AKR1C3CETPMAPK14FFAR1SMN1; SMN2
SCHEMBL9804475 0.92 MAPK14 (0.47) CETPMAPK14FDFT1
SCHEMBL9804470 0.92 MAPK14 (0.47) CETPMAPK14FDFT1
SCHEMBL9804377 0.92 PPARD (0.44) AKR1C3CETPMAPK14FFAR1SMN1; SMN2
SCHEMBL9804320 0.91 KDM4E (0.48) CETPMAPK14KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP disclosed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US disclosed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 EP disclosed