SCHEMBL8972099

SCHEMBL8972099

CCCCCC1COC(OC(F)(F)c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.37
RORC P51449 4/20 0.34
RORA P35398 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PPARA Q07869 7/20 0.32
PPARG P37231 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 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
SCHEMBL8972166 0.85 S1PR1 (0.31)
SCHEMBL8972175 0.85 SPHK2 (0.32)
SCHEMBL8972100 0.84 RORC (0.34) PPARDRORCRORANR1H4
SCHEMBL8972420 0.83 PPARD (0.36) PPARDRORCRORANR1H4PPARA
SCHEMBL8971099 0.82 RARB (0.33) PPARD
SCHEMBL8948466 0.82 FPR2 (0.33) PPARDALOX5APFEN1
SCHEMBL8971848 0.81 GRM2 (0.35) PPARD
SCHEMBL8948506 0.81 FPR2 (0.33) PPARD
SCHEMBL8971484 0.81 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL8970738 0.80 S1PR1 (0.34) PPARD

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