SCHEMBL7922572

SCHEMBL7922572

Fc1ccc(Oc2ccc(CCCC(c3cccc(C(F)(F)F)c3)C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.41
MAOB P27338 2/20 0.39
SLC7A5 Q01650 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PNMT P11086 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
GRIN2B Q13224 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPK14 Q16539 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7922565 0.84 FDFT1 (0.53) FDFT1MAPK14IDO1TDO2
SCHEMBL7922569 0.81 FDFT1 (0.40) FDFT1MAPK14IDO1TDO2TP53
SCHEMBL9804456 0.79 FDFT1 (0.54) FDFT1
SCHEMBL9804343 0.75 FDFT1 (0.58) FDFT1LTA4HEPHX2MAPK14
SCHEMBL7930475 0.75 FDFT1 (0.52) FDFT1
SCHEMBL7934901 0.72 MAOB (0.40) MAOB
SCHEMBL7930430 0.70 KCNH2 (0.43) FDFT1
SCHEMBL9804487 0.69 CETP (0.49) FDFT1FFAR1FFAR4
SCHEMBL9804670 0.69 FDFT1 (0.56) FDFT1
SCHEMBL9804359 0.68 KDM4E (0.50) FDFT1LTA4HALDH1A1SIGMAR1

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 2 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 claimed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US claimed