SCHEMBL22277656

SCHEMBL22277656

C=CC1CCC(c2ccc(-c3ccc(CCc4ccc(OCCCC)c(F)c4F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
SPHK1 Q9NYA1 12/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CNR1 P21554 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
SPHK2 Q9NRA0 7/20 0.33

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
SCHEMBL22277746 0.94 SPHK1 (0.37) CNR2SPHK1GABRA1GABRB2CNR1
SCHEMBL22277601 0.92 FFAR4 (0.34) SPHK1GABRA1GABRB2FFAR4
SCHEMBL22277647 0.89 CNR2 (0.39) CNR2SPHK1GABRA1GABRB2CNR1
SCHEMBL22277308 0.86 SPHK1 (0.38) SPHK1FFAR4SPHK2
SCHEMBL22277590 0.86 SPHK1 (0.32) SPHK1FFAR4
SCHEMBL22277311 0.85 SPHK1 (0.40) SPHK1FFAR4SPHK2
SCHEMBL22277634 0.85 CNR2 (0.36) CNR2SPHK1GABRA1GABRB2CNR1
SCHEMBL15681292 0.83 CNR2 (0.38) CNR2SPHK1GABRA1GABRB2CNR1
SCHEMBL22277521 0.83 SPHK1 (0.35) CNR2SPHK1GABRA1GABRB2CNR1
SCHEMBL22277318 0.82 SPHK1 (0.38) SPHK1FFAR4SPHK2

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