SCHEMBL6663764

SCHEMBL6663764

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.35
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
MOGAT2 Q3SYC2 1/20 0.33
SPHK2 Q9NRA0 7/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
TSHR P16473 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
SCHEMBL6663900 0.93 CYP2C9 (0.34) ALOX5PPARGMOGAT2KDM1ARCOR1
SCHEMBL6665405 0.92 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL6667708 0.91 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL6666356 0.91 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL6666214 0.91 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6667628 0.91 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6664037 0.90 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL6664187 0.90 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL6663284 0.89 SPHK1 (0.32) SPHK1
SCHEMBL6663143 0.89 FFAR4 (0.31) 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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed