SCHEMBL6662832

SCHEMBL6662832

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc([C@H]4CC[C@H](C)CC4)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35
ESR2 Q92731 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
SCHEMBL6664248 1.00 SPHK1 (0.43) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6666558 0.99 SPHK1 (0.45) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6660734 0.95 SPHK1 (0.47) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6666951 0.93 SPHK1 (0.45) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6661879 0.93 SPHK1 (0.45) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6667371 0.93 SPHK1 (0.45) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6665735 0.93 SPHK1 (0.51) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6667712 0.92 SPHK1 (0.44) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6660740 0.92 SPHK1 (0.44) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6664002 0.92 ALDH1A1 (0.43) 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