SCHEMBL8969505

SCHEMBL8969505

CCCCCCC1OCC(CCc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LYPLA1 O75608 1/20 0.33
LYPLA2 O95372 1/20 0.33
ABHD16A O95870 1/20 0.33
ENPP2 Q13822 2/20 0.33
S1PR1 P21453 3/20 0.30
S1PR3 Q99500 2/20 0.30
FPR2 P25090 1/20 0.30
SPHK2 Q9NRA0 7/20 0.30
SPHK1 Q9NYA1 5/20 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
SCHEMBL8969819 0.91 RARB (0.42) RARBENPP2S1PR1S1PR3SPHK2
SCHEMBL8969384 0.91 FFAR4 (0.39) RARBFFAR4S1PR1S1PR3FPR2
SCHEMBL8969535 0.90 RARB (0.39) RARBFFAR4ENPP2S1PR1S1PR3
SCHEMBL8969459 0.87 CTSL (0.31) FFAR4ENPP2FPR2
SCHEMBL8969514 0.87 CTSL (0.31) FFAR4ENPP2FPR2
SCHEMBL8969201 0.86 RARB (0.38) RARBFFAR4LYPLA1LYPLA2ABHD16A
SCHEMBL8969506 0.86 NAAA (0.36) RARBFFAR4S1PR1FPR2
SCHEMBL10502516 0.86 RARB (0.39) RARBFFAR4ENPP2S1PR1S1PR3
SCHEMBL8953536 0.84 KDM1A (0.36) RARBFFAR4FPR2
SCHEMBL8953349 0.83 KDM1A (0.37) RARBFFAR4FPR2

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed