SCHEMBL14767313

SCHEMBL14767313

C=CCCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
TP53 P04637 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL14766478 1.00 MAPT (0.42) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14767205 0.94 ALDH1A1 (0.44) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14766619 0.94 ALDH1A1 (0.44) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14766216 0.92 MAPT (0.42) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14766369 0.91 FFAR1 (0.44) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14766362 0.91 ALDH1A1 (0.47) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14767091 0.91 ALDH1A1 (0.47) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14767262 0.90 FFAR1 (0.44) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14767240 0.90 KMT2A (0.41) MAPTKMT2ATHRBALDH1A1L3MBTL1
SCHEMBL14766620 0.89 MAPT (0.46) MAPTKMT2ATHRBCCNCCDK8

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