SCHEMBL14766892

SCHEMBL14766892

C=CCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.39
MAOB P27338 1/20 0.39
CHRNA7 P36544 3/20 0.38
KAT6A Q92794 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CPS1 P31327 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RARA P10276 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
SCHEMBL14766983 0.94 FFAR4 (0.41) FFAR4FFAR1MAPTSMN1; SMN2NPC1
SCHEMBL14767124 0.91 FFAR4 (0.49) FFAR4FFAR1MAPTTHRBMAOB
SCHEMBL12741999 0.91 MAPT (0.42) FFAR4FFAR1MAPTSMN1; SMN2THRB
SCHEMBL14767306 0.90 FFAR4 (0.46) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL12741973 0.88 FFAR4 (0.41) FFAR4FFAR1MAPTTHRBMAOB
SCHEMBL12823962 0.87 APP (0.36) MAPTSMN1; SMN2MAOBKAT6ALMNA
SCHEMBL14767077 0.86 MAPT (0.41) FFAR4FFAR1MAPTSMN1; SMN2NPC1
SCHEMBL14766236 0.86 MAPT (0.41) FFAR4FFAR1MAPTSMN1; SMN2NPC1
SCHEMBL14767280 0.86 FFAR4 (0.53) FFAR4FFAR1MAPTSMN1; SMN2NPC1
SCHEMBL12719319 0.86 CPS1 (0.47) FFAR4FFAR1MAPTSMN1; SMN2THRB

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