SCHEMBL14766407

SCHEMBL14766407

CCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
THRB P10828 2/20 0.47
KMT2A Q03164 2/20 0.46
CCNC P24863 2/20 0.45
CDK8 P49336 2/20 0.45
TP53 P04637 1/20 0.44
PARP10 Q53GL7 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NPC1 O15118 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14767194 1.00 MAPT (0.48) MAPTTHRBKMT2ACCNCCDK8
SCHEMBL14766880 0.93 MAPT (0.47) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL14767233 0.93 MAPT (0.47) MAPTTHRBKMT2ATP53FFAR1
SCHEMBL14766010 0.93 MAPT (0.50) MAPTTHRBKMT2ATP53NPC1
SCHEMBL12823467 0.93 MAPT (0.50) MAPTTHRBKMT2ATP53NPC1
SCHEMBL12737476 0.91 MAPT (0.40) MAPTTHRBKMT2ATP53FFAR4
SCHEMBL12742650 0.91 MAPT (0.40) MAPTTHRBKMT2ATP53FFAR4
SCHEMBL14766610 0.91 MAPT (0.48) MAPTTHRBKMT2ACCNCCDK8
SCHEMBL14766113 0.90 MAPT (0.48) MAPTTHRBKMT2ACCNCCDK8
SCHEMBL12742663 0.90 S1PR1 (0.42) MAPTTHRBKMT2ATP53FFAR4

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