SCHEMBL8933000

SCHEMBL8933000

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 3/20 0.35
RARB P10826 1/20 0.35
FASN P49327 1/20 0.35
APP P05067 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SPHK1 Q9NYA1 5/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
RORC P51449 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8933268 0.99 RARB (0.36) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8932985 0.98 RARB (0.37) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8958698 0.97 CYP3A4 (0.34) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8933277 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8933020 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8933172 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8933021 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8933255 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8932971 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP
SCHEMBL8933120 0.97 RARB (0.39) CYP3A4CYP2C9RARBFASNAPP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
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