SCHEMBL8943319

SCHEMBL8943319

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
FASN P49327 1/20 0.32
EPHX1 P07099 1/20 0.32
RARB P10826 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DGAT1 O75907 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 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
SCHEMBL8944143 0.99 EPHX1 (0.34) ALOX5FASNEPHX1RARBALDH1A1
SCHEMBL8943262 0.93 ALOX5 (0.36) ALOX5FASNDGAT1CYP3A4CYP2C9
SCHEMBL8943366 0.90 ALOX5 (0.33) ALOX5FASNEPHX1RARBCYP3A4
SCHEMBL18718623 0.89 ALOX5 (0.37) ALOX5
SCHEMBL8943916 0.89 ALOX5 (0.35) ALOX5FASNEPHX1RARB
SCHEMBL8943604 0.89 RARB (0.34) ALOX5FASNEPHX1RARBALDH1A1
SCHEMBL8943437 0.89 ALOX5 (0.35) ALOX5FASNEPHX1RARB
SCHEMBL8943343 0.89 ALOX5 (0.35) ALOX5FASNEPHX1RARB
SCHEMBL8943565 0.88 SLC6A2 (0.37) ALOX5
SCHEMBL8943434 0.88 RARB (0.36) ALOX5FASNEPHX1RARBALDH1A1

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