SCHEMBL8933684

SCHEMBL8933684

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.35
SPHK1 Q9NYA1 13/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FASN P49327 1/20 0.32
APP P05067 1/20 0.30
SPHK2 Q9NRA0 7/20 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 1.00 RARB (0.35) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8933802 1.00 RARB (0.35) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8933599 1.00 RARB (0.35) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8933777 1.00 RARB (0.35) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8933778 0.99 RARB (0.34) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959511 0.97 RARB (0.34) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959514 0.97 RARB (0.34) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959515 0.97 RARB (0.34) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959494 0.97 RARB (0.34) RARBSPHK1CYP3A4CYP2C9FASN
SCHEMBL8959500 0.97 RARB (0.34) RARBSPHK1CYP3A4CYP2C9FASN

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