SCHEMBL14766610

SCHEMBL14766610

CCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
FFAR1 O14842 4/20 0.46
PPARD Q03181 3/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CHRNA7 P36544 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL14766300 0.94 RARB (0.47) MAPTFFAR1PPARDTP53THRB
SCHEMBL14766141 0.94 MAPT (0.50) MAPTFFAR1PPARDTP53THRB
SCHEMBL12718259 0.92 RXRA (0.41) MAPTFFAR1PPARDTP53THRB
SCHEMBL12737525 0.91 THRB (0.48) MAPTFFAR1PPARDTP53THRB
SCHEMBL12737524 0.91 RXRA (0.41) MAPTFFAR1PPARDTP53THRB
SCHEMBL14766535 0.91 MAPT (0.44) MAPTFFAR1PPARDTP53THRB
SCHEMBL14767299 0.91 MAPT (0.45) MAPTFFAR1PPARDTP53THRB
SCHEMBL14766407 0.91 MAPT (0.48) MAPTFFAR1TP53THRBFFAR4
SCHEMBL14767194 0.91 MAPT (0.48) MAPTFFAR1TP53THRBFFAR4
SCHEMBL14766121 0.90 RARB (0.47) MAPTFFAR1THRBFFAR4KMT2A

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