SCHEMBL6663888

SCHEMBL6663888

CCCCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCC)CC3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
SPHK2 Q9NRA0 7/20 0.31
HRH3 Q9Y5N1 1/20 0.30
FAAH O00519 1/20 0.30
HTR2A P28223 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
SCHEMBL6665218 0.96 SPHK1 (0.34) SPHK1SPHK2HRH3FAAHHTR2A
SCHEMBL6662153 0.93 OPRL1 (0.30)
SCHEMBL6660755 0.92
SCHEMBL6665028 0.89 CYP2C9 (0.35)
SCHEMBL6660736 0.89 CYP2C9 (0.35)
SCHEMBL6665080 0.87 TRPV1 (0.31)
SCHEMBL6665099 0.87 S1PR1 (0.30)
SCHEMBL6665207 0.87 CYP2C9 (0.39)
SCHEMBL6667398 0.86 CYP2C9 (0.32) SPHK1
SCHEMBL6666671 0.84 CYP2C9 (0.37)

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