SCHEMBL14766236

SCHEMBL14766236

C=CCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 5/20 0.36
TSHR P16473 1/20 0.36
FLT3 P36888 1/20 0.36
THRB P10828 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL14767077 1.00 MAPT (0.41) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL14766613 0.92 FFAR1 (0.41) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12738149 0.92 GAA (0.36) MAPTNPC1FFAR1FFAR4GAA
SCHEMBL12741801 0.92 GAA (0.36) MAPTNPC1FFAR1FFAR4GAA
SCHEMBL14766302 0.90 MAPT (0.41) MAPTFFAR1FFAR4GAATHRB
SCHEMBL14767278 0.90 MAPT (0.41) MAPTFFAR1FFAR4GAATHRB
SCHEMBL14766094 0.90 FFAR1 (0.38) MAPTPOLBFFAR1FFAR4GAA
SCHEMBL14767006 0.90 FFAR1 (0.38) MAPTPOLBFFAR1FFAR4GAA
SCHEMBL14766983 0.89 FFAR4 (0.41) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL12823954 0.88 GAA (0.34) MAPTGAATSHRFLT3THRB

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