SCHEMBL14767151

SCHEMBL14767151

CCOc1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPT P10636 4/20 0.44
THRB P10828 2/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PPARD Q03181 1/20 0.43
LMNA P02545 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CHRNA7 P36544 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
PARP10 Q53GL7 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL14766751 0.93 FFAR1 (0.46) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL12741887 0.93 ALDH1A1 (0.41) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL13586232 0.93 MAPT (0.45) KMT2AMAPTTHRBFFAR1PPARD
SCHEMBL12741858 0.93 MAPT (0.43) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL14767299 0.93 MAPT (0.45) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL12741893 0.92 MAPT (0.42) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL14767086 0.91 MAPT (0.43) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL12741863 0.90 MAPT (0.50) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL13586234 0.89 PTGS2 (0.40) KMT2AMAPTTHRBFFAR1FFAR4
SCHEMBL12741868 0.89 KCNQ3 (0.37) KMT2AMAPTTHRBFFAR1FFAR4

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed