SCHEMBL22277245

SCHEMBL22277245

C=CCCC1CCC(c2ccc(CCc3ccc(-c4ccc(CCCCC)c(F)c4F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.39
SPHK2 Q9NRA0 7/20 0.35
RARB P10826 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL22277250 0.94 CTSL (0.32) SPHK1FFAR4
SCHEMBL22277257 0.89 SPHK1 (0.41) SPHK1SPHK2RARBFFAR4
SCHEMBL22277756 0.87 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL22277592 0.87 SPHK1 (0.40) SPHK1SPHK2FFAR4
SCHEMBL22277238 0.86 SPHK1 (0.33) SPHK1SPHK2FFAR4
SCHEMBL8933778 0.85 RARB (0.34) SPHK1RARBFFAR4
SCHEMBL8933777 0.84 RARB (0.35) SPHK1SPHK2RARB
SCHEMBL8933689 0.84 RARB (0.35) SPHK1SPHK2RARB
SCHEMBL8933599 0.84 RARB (0.35) SPHK1SPHK2RARB
SCHEMBL8933802 0.84 RARB (0.35) SPHK1SPHK2RARB

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-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed