SCHEMBL14766544

SCHEMBL14766544

C=CCOc1ccc(COC2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.36
HTR2A P28223 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GYS1 P13807 1/20 0.33
MGAM O43451 3/20 0.32
GAA P10253 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32
FFAR1 O14842 3/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL14766773 0.94 FFAR4 (0.37) NAAAHTR2AFFAR4MAOBMAPT
SCHEMBL12740370 0.93 FFAR4 (0.34) NAAAHTR2AFFAR4MAOBMAPT
SCHEMBL14766170 0.93 FFAR4 (0.34) NAAAHTR2AFFAR4MAOBMAPT
SCHEMBL14767021 0.92 NAAA (0.40) NAAAFFAR4FFAR1ESR1PPARD
SCHEMBL14766870 0.91 FFAR4 (0.35) NAAAFFAR4FFAR1ESR1PPARD
SCHEMBL12740359 0.90 NAAA (0.36) NAAAFFAR4FFAR1ESR1
SCHEMBL14765702 0.90 FFAR4 (0.38) FFAR4MAOBMAPTSMN1; SMN2MEN1
SCHEMBL14767034 0.90 HTR2A (0.35) NAAAHTR2AMAOBMAPTSMN1; SMN2
SCHEMBL12718988 0.89 ACACA (0.34) NAAAHTR2AFFAR4MAOBMAPT
SCHEMBL14766813 0.88 FFAR4 (0.33) HTR2AFFAR4MAOBMAPTSMN1; SMN2

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