SCHEMBL6667734

SCHEMBL6667734

CC[C@H]1CC[C@H](c2ccc(CCOC(F)(F)c3ccc([C@H]4CC[C@H](C)CC4)c(F)c3F)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL6665461 1.00 ESR2 (0.31) ESR2SPHK1
SCHEMBL6665730 0.96 SPHK1 (0.33) SPHK1
SCHEMBL6667499 0.94 ESR2 (0.35) ESR2SPHK1
SCHEMBL6662118 0.93 CYP2C9 (0.36) ESR2SPHK1
SCHEMBL6666562 0.93 CYP2C9 (0.36) ESR2SPHK1
SCHEMBL6666335 0.92 CYP2C9 (0.37) SPHK1
SCHEMBL6666669 0.92 CYP2C9 (0.37) SPHK1
SCHEMBL6666024 0.91 SPHK1 (0.37) SPHK1
SCHEMBL6666372 0.91 SPHK1 (0.37) SPHK1
SCHEMBL6663916 0.89 SPHK1 (0.38) SPHK1

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