SCHEMBL22277281

SCHEMBL22277281

CCCc1ccc(C2CCC(C3CCC(OCc4ccc(OCC)c(F)c4F)CC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.35
NAAA Q02083 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
KDM1A O60341 2/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
SPHK2 Q9NRA0 7/20 0.32

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
SCHEMBL22277744 0.93 SPHK1 (0.46) SPHK1NAAAFFAR4SPHK2
SCHEMBL22277310 0.91 SPHK1 (0.38) SPHK1FFAR4CARM1PRMT6SPHK2
SCHEMBL22277667 0.89 NAAA (0.32) SPHK1NAAAFFAR4
SCHEMBL22277641 0.88 FFAR4 (0.32) NAAAFFAR4
SCHEMBL22277588 0.85 SPHK1 (0.36) SPHK1KDM1ASPHK2
SCHEMBL12736780 0.83 NAAA (0.43) NAAAFFAR4KDM1A
SCHEMBL12759544 0.82 ALOX5 (0.37) SPHK1KDM1A
SCHEMBL22277615 0.82 SPHK1 (0.33) SPHK1CARM1PRMT6SPHK2
SCHEMBL17359407 0.82 SPHK1 (0.38) SPHK1KDM1ASPHK2
SCHEMBL12759526 0.82 NAAA (0.34) NAAAKDM1A

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