SCHEMBL6665739

SCHEMBL6665739

CCCCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCCCC)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
SPHK2 Q9NRA0 7/20 0.42
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL6663774 0.96 SPHK1 (0.46) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6666956 0.96 SPHK1 (0.41) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6660738 0.94 MAPT (0.38) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6661882 0.91 MAPT (0.42) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6667373 0.91 MAPT (0.42) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6667714 0.90 MAPT (0.36) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6660745 0.90 MAPT (0.36) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6664252 0.89 MAPT (0.36) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6662839 0.89 MAPT (0.36) SPHK1ALDH1A1LMNAMAPT
SCHEMBL6666560 0.88 MAPT (0.35) SPHK1SPHK2ALDH1A1LMNAMAPT

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