SCHEMBL14766620

SCHEMBL14766620

C=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1F

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
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.40
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAOB P27338 2/20 0.37
PARP10 Q53GL7 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL14767289 1.00 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766535 0.92 MAPT (0.44) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766086 0.91 MAPT (0.45) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766407 0.90 MAPT (0.48) MAPTNPC1THRBKMT2ACCNC
SCHEMBL14767194 0.90 MAPT (0.48) MAPTNPC1THRBKMT2ACCNC
SCHEMBL14767019 0.90 MAPT (0.46) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14767221 0.90 MAPT (0.43) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14767313 0.89 MAPT (0.42) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766478 0.89 MAPT (0.42) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12742688 0.89 KDM4E (0.39) MAPTNPC1RAB9ASMN1; 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