SCHEMBL6663430

SCHEMBL6663430

C[C@H]1CC[C@H](c2ccc(CCOC(F)(F)c3ccc([C@H]4CC[C@H](C)CC4)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
SPHK1 Q9NYA1 11/20 0.38
HTR2C P28335 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SPHK2 Q9NRA0 7/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL6667951 0.92 ESR2 (0.37) ESR2SPHK1HTR2CSIGMAR1SPHK2
SCHEMBL6665221 0.91 ALDH1A1 (0.43) ESR2SPHK1SPHK2
SCHEMBL6663461 0.91 ESR2 (0.36) ESR2
SCHEMBL6664002 0.91 ALDH1A1 (0.43) ESR2SPHK1SPHK2
SCHEMBL6661099 0.90 ESR2 (0.35) ESR2SPHK1HTR2CSIGMAR1
SCHEMBL6662813 0.89 ESR2 (0.35) ESR2SPHK1HTR2CSIGMAR1
SCHEMBL6664248 0.88 SPHK1 (0.43) ESR2SPHK1SPHK2
SCHEMBL6662832 0.88 SPHK1 (0.43) ESR2SPHK1SPHK2
SCHEMBL6665638 0.87 ESR2 (0.33) ESR2SPHK1
SCHEMBL6666558 0.87 SPHK1 (0.45) ESR2SPHK1SPHK2

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