SCHEMBL7922559

SCHEMBL7922559

CCOc1ccc(C(CCCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
MAPK1 P28482 1/20 0.36
CETP P11597 2/20 0.34
KCNH2 Q12809 2/20 0.34
ACACB O00763 3/20 0.34
ACACA Q13085 2/20 0.33
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9560885 0.83 LTA4H (0.42) LTA4HMAPK1CETPKCNH2ACACB
SCHEMBL9714593 0.82 LTA4H (0.41) LTA4HMAPK1CETPKCNH2ACACB
SCHEMBL10654295 0.82 LTA4H (0.41) LTA4HKCNH2ACACBACACACNR2
SCHEMBL10647718 0.82 LTA4H (0.41) LTA4HKCNH2ACACBACACACNR2
SCHEMBL7931627 0.79 CETP (0.49) LTA4HCETP
SCHEMBL10549191 0.77 LTA4H (0.44) LTA4HMAPK1KCNH2PPARAKDM4E
SCHEMBL9804469 0.77 LTA4H (0.42) LTA4HMAPK1CETPPPARGPPARD
SCHEMBL9804535 0.76 LTA4H (0.41) LTA4HMAPK1CETPACACBACACA
SCHEMBL9335440 0.76 LTA4H (0.46) LTA4HMAPK1KCNH2ACACBACACA
SCHEMBL10657211 0.74 LTA4H (0.39) LTA4HMAPK1KCNH2PPARAMAPT

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