SCHEMBL7932222

SCHEMBL7932222

FCCOc1ccc(CCCC(c2ccc(Cl)cc2)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MAOB P27338 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 3/20 0.38
APP P05067 2/20 0.38
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7934901 0.88 MAOB (0.40) PPARGPPARAMAOBKCNH2APP
SCHEMBL7932190 0.87 APP (0.40) KMT2AMEN1KCNH2APPSMN1; SMN2
SCHEMBL10981393 0.77 DRD2 (0.56) DRD2DRD4DRD3PPARGPPARA
SCHEMBL7931623 0.76 KCNH2 (0.41) TDP1L3MBTL1KCNH2
SCHEMBL7930430 0.76 KCNH2 (0.43) DRD2DRD4DRD3KCNH2
SCHEMBL10980254 0.70 APP (0.57) DRD2DRD4DRD3MAOBKMT2A
SCHEMBL9491970 0.69 FDFT1 (0.50) PPARGPPARA
SCHEMBL10980719 0.69 DRD4 (0.53) DRD2DRD4DRD3MAOBKMT2A
SCHEMBL11003782 0.68 KMT2A (0.51) PPARGPPARAMAOBKMT2AMEN1
SCHEMBL11003805 0.68 LMNA (0.51) PPARGPPARAMAOBKMT2AMEN1

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 1 patent. 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