SCHEMBL14766807

SCHEMBL14766807

C=CCOc1ccc(CCC2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
GYS1 P13807 1/20 0.34
LMNA P02545 1/20 0.34
PPARD Q03181 6/20 0.33
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
PPARA Q07869 3/20 0.32
PPARG P37231 2/20 0.32
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR2A P28223 1/20 0.30
POLB P06746 2/20 0.30

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
SCHEMBL14766847 0.92 FFAR4 (0.38) MEN1KMT2APPARDFFAR1FFAR4
SCHEMBL14766827 0.92 GABRA1 (0.32) PPARDFFAR1FFAR4PPARAPPARG
SCHEMBL12739875 0.91 ALOX5AP (0.33) ALDH1A1MEN1KMT2ACYP2D6GYS1
SCHEMBL14766867 0.88 GYS1 (0.38) ALDH1A1MEN1KMT2ACYP2D6GYS1
SCHEMBL14766710 0.88 CNR2 (0.35) PPARDFFAR1FFAR4PPARA
SCHEMBL14767054 0.87 FFAR1 (0.41) GYS1PPARDFFAR1FFAR4PPARA
SCHEMBL14765995 0.87 CTSL (0.32) ALDH1A1MEN1KMT2ACYP2D6GYS1
SCHEMBL14766603 0.87 CTSL (0.32) ALDH1A1MEN1KMT2ACYP2D6GYS1
SCHEMBL14766500 0.87 FFAR4 (0.35) PPARDFFAR1FFAR4PPARA
SCHEMBL12739856 0.87 FFAR4 (0.35) PPARDFFAR1FFAR4PPARAPPARG

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