SCHEMBL6663042

SCHEMBL6663042

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(CCC)cc3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
S1PR1 P21453 1/20 0.34
SPHK2 Q9NRA0 7/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL6666704 0.96 SPHK1 (0.41) SPHK1S1PR1SPHK2ALDH1A1LMNA
SCHEMBL6662824 0.96 SPHK1 (0.37) SPHK1S1PR1SPHK2ALDH1A1LMNA
SCHEMBL6664073 0.94 SPHK1 (0.39) SPHK1S1PR1SPHK2ALDH1A1LMNA
SCHEMBL6662896 0.93 ALDH1A1 (0.39) SPHK1ALDH1A1LMNAMAPTFFAR4
SCHEMBL6662920 0.92 SPHK1 (0.41) SPHK1S1PR1SPHK2ALDH1A1LMNA
SCHEMBL6667608 0.90 SPHK1 (0.39) SPHK1S1PR1SPHK2ALDH1A1LMNA
SCHEMBL6662712 0.90 SPHK1 (0.33) SPHK1S1PR1SPHK2
SCHEMBL6665829 0.89 SPHK1 (0.39) SPHK1SPHK2ALDH1A1LMNAMAPT
SCHEMBL6663429 0.89 ALDH1A1 (0.39) SPHK1ALDH1A1LMNAMAPTFFAR4
SCHEMBL6666951 0.88 SPHK1 (0.45) 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