SCHEMBL22277650

SCHEMBL22277650

C/C=C/CCc1ccc(C2CCC(C3CCC(OCc4ccc(CCC)c(F)c4F)CC3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.33
FFAR4 Q5NUL3 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL22277641 0.90 FFAR4 (0.32) FFAR4
SCHEMBL22277310 0.90 SPHK1 (0.38) SPHK1FFAR4CARM1PRMT6
SCHEMBL22277615 0.89 SPHK1 (0.33) SPHK1CARM1PRMT6
SCHEMBL22277682 0.85 SPHK1 (0.35) SPHK1
SCHEMBL22277295 0.82 CTSL (0.32)
SCHEMBL22277281 0.81 SPHK1 (0.35) SPHK1FFAR4CARM1PRMT6
SCHEMBL22277667 0.79 NAAA (0.32) SPHK1FFAR4
SCHEMBL22277621 0.78 AOC3 (0.32) SPHK1FFAR4
SCHEMBL22277671 0.78 SPHK1 (0.35) SPHK1FFAR4
SCHEMBL22277670 0.78 SPHK1 (0.42) SPHK1

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