SCHEMBL8933778

SCHEMBL8933778

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FASN P49327 1/20 0.32
SPHK1 Q9NYA1 4/20 0.31
APP P05067 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8933689 0.99 RARB (0.35) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8933599 0.99 RARB (0.35) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8933684 0.99 RARB (0.35) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8933777 0.99 RARB (0.35) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8933802 0.99 RARB (0.35) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8959506 0.97 RARB (0.32) RARBCYP3A4CYP2C9FASN
SCHEMBL8933739 0.97 CYP3A4 (0.33) RARBCYP3A4CYP2C9FASNAPP
SCHEMBL8959511 0.96 RARB (0.34) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8959514 0.96 RARB (0.34) RARBCYP3A4CYP2C9FASNSPHK1
SCHEMBL8959494 0.96 RARB (0.34) RARBCYP3A4CYP2C9FASNSPHK1

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