SCHEMBL14766535

SCHEMBL14766535

C=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 4/20 0.41
PPARD Q03181 3/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRNA7 P36544 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL14767221 0.92 MAPT (0.43) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766620 0.92 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14767289 0.92 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766610 0.91 MAPT (0.48) MAPTFFAR1PPARDTP53THRB
SCHEMBL14766216 0.91 MAPT (0.42) MAPTFFAR1PPARDTP53THRB
SCHEMBL14767086 0.90 MAPT (0.43) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12737537 0.90 TP53 (0.38) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14767019 0.90 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766086 0.89 MAPT (0.45) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766613 0.88 FFAR1 (0.41) 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