SCHEMBL6667099

SCHEMBL6667099

CCCCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL6661207 0.94 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL6661161 0.89 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL6663818 0.89 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL6663175 0.89 ALDH1A1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL6665832 0.89 MAPT (0.34) ALDH1A1LMNAMAPT
SCHEMBL6663123 0.86 MAPT (0.35) ALDH1A1LMNAMAPT
SCHEMBL6661300 0.86 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL6661960 0.86 HSD11B1 (0.37) ALDH1A1LMNAMAPT
SCHEMBL6661327 0.86 ITGB3 (0.31) CYP11B1CYP11B2
SCHEMBL6660738 0.85 MAPT (0.38) ALDH1A1LMNAMAPT

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