SCHEMBL22277652

SCHEMBL22277652

C/C=C/CCC1CCC(C2CCC(c3ccc(CCc4ccc(OCCCC)c(F)c4F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
FFAR4 Q5NUL3 1/20 0.32
ALOX5 P09917 3/20 0.31
PTGES O14684 2/20 0.31
SPHK2 Q9NRA0 7/20 0.31
PPARG P37231 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
SCHEMBL22277666 0.93 SPHK1 (0.34) SPHK1FFAR4SPHK2
SCHEMBL22277654 0.93 FFAR4 (0.30) FFAR4
SCHEMBL22277770 0.91 ALOX5 (0.34) SPHK1ALOX5PTGES
SCHEMBL22277304 0.90 SPHK1 (0.38) SPHK1FFAR4SPHK2
SCHEMBL22277306 0.89 SPHK1 (0.40) SPHK1FFAR4SPHK2PPARG
SCHEMBL22277623 0.88 ALOX5 (0.35) ALOX5PTGES
SCHEMBL10066557 0.88
SCHEMBL22277772 0.88 FFAR4 (0.35) SPHK1FFAR4SPHK2
SCHEMBL22277514 0.86 FFAR4 (0.38) SPHK1FFAR4ALOX5PTGESSPHK2
SCHEMBL22277740 0.86 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