SCHEMBL6665158

SCHEMBL6665158

CCCCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCCCC)CC3)cc2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
SPHK2 Q9NRA0 7/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
S1PR1 P21453 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
SCHEMBL6667745 0.96 SPHK1 (0.36) SPHK1SPHK2S1PR1
SCHEMBL6662717 0.96 SPHK1 (0.32) SPHK1
SCHEMBL6664188 0.90 CYP2C9 (0.33)
SCHEMBL6666358 0.89 SPHK1 (0.40) SPHK1SPHK2ITGB3ITGA2BS1PR1
SCHEMBL6666710 0.89 SPHK1 (0.40) SPHK1SPHK2ITGB3ITGA2BS1PR1
SCHEMBL6667103 0.86 ITGB3 (0.30) ITGB3ITGA2BS1PR1
SCHEMBL6661890 0.85 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL6662926 0.85 SPHK1 (0.40) SPHK1SPHK2S1PR1
SCHEMBL6667711 0.85 SPHK1 (0.35) SPHK1SPHK2ITGB3ITGA2B
SCHEMBL6663047 0.85 SPHK1 (0.35) SPHK1SPHK2

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