SCHEMBL8933558

SCHEMBL8933558

C/C=C/CCC1CCC(c2ccc(-c3ccc(-c4ccc(CCCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FASN P49327 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
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
SCHEMBL8959415 0.97 RARB (0.32) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8933756 0.97 CYP3A4 (0.32) RARBCYP3A4CYP2C9FASNFFAR4
SCHEMBL8959425 0.96 RARB (0.33) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959435 0.96 RARB (0.33) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959434 0.96 RARB (0.33) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959439 0.96 RARB (0.33) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959428 0.96 RARB (0.33) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959405 0.95 CYP3A4 (0.31) CYP3A4CYP2C9FASNFFAR4
SCHEMBL8933762 0.94 CYP3A4 (0.32) RARBCYP3A4CYP2C9FASNFFAR4
SCHEMBL8933529 0.93 CYP3A4 (0.33) CYP3A4CYP2C9FASNFFAR4APP

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 2 patents. 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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed