SCHEMBL6662934

SCHEMBL6662934

CCCCCc1ccc(CC(F)(F)OCc2ccc(C3CCC(CCC)CC3)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.41
SPHK2 Q9NRA0 7/20 0.38
CYP2C9 P11712 1/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6666713 0.96 SPHK1 (0.41) SPHK1SPHK2S1PR1
SCHEMBL6667612 0.94 SPHK1 (0.40) SPHK1SPHK2CYP2C9S1PR1ALDH1A1
SCHEMBL6662905 0.93 CYP2C9 (0.38) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6663052 0.92 SPHK1 (0.37) SPHK1SPHK2CYP2C9S1PR1
SCHEMBL6664083 0.90 SPHK1 (0.40) SPHK1SPHK2CYP2C9S1PR1
SCHEMBL6663435 0.89 CYP2C9 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6663775 0.89 SPHK1 (0.52) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6662827 0.88 SPHK1 (0.38) SPHK1SPHK2CYP2C9S1PR1ALDH1A1
SCHEMBL6665744 0.84 SPHK1 (0.52) SPHK1SPHK2CYP2C9ALDH1A1LMNA
SCHEMBL6662944 0.84 CYP2C9 (0.42) SPHK1CYP2C9ALDH1A1LMNAMAPT

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