SCHEMBL14767019

SCHEMBL14767019

C=CCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 4/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PPARD Q03181 3/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
CHRNA7 P36544 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KMT2A Q03164 2/20 0.38
MAOB P27338 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL14766086 0.95 MAPT (0.45) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14767221 0.92 MAPT (0.43) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14767138 0.92 MAPT (0.48) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL12742805 0.91 FFAR1 (0.38) MAPTSMN1; SMN2FFAR1FFAR4PPARD
SCHEMBL14767262 0.90 FFAR1 (0.44) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL14766535 0.90 MAPT (0.44) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14767289 0.90 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766620 0.90 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12742788 0.89 MAPT (0.41) MAPTFFAR1FFAR4PPARDTP53
SCHEMBL14767086 0.88 MAPT (0.43) MAPTNPC1POLBRAB9ASMN1; SMN2

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