SCHEMBL6664078

SCHEMBL6664078

CCCCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCCCC)CC3)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.35
SPHK1 Q9NYA1 6/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.31
CNR2 P34972 1/20 0.31
APP P05067 1/20 0.31
SPHK2 Q9NRA0 2/20 0.30

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
SCHEMBL6667610 0.96 ALDH1A1 (0.36) TRPV1SPHK1ALDH1A1LMNAMAPT
SCHEMBL6662825 0.96 SPHK1 (0.32) TRPV1SPHK1ALDH1A1LMNAMAPT
SCHEMBL6665832 0.90 MAPT (0.34) TRPV1SPHK1ALDH1A1LMNAMAPT
SCHEMBL6663433 0.89 ALDH1A1 (0.38) TRPV1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6663123 0.88 MAPT (0.35) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6660738 0.87 MAPT (0.38) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6665399 0.86 PDE2A (0.37)
SCHEMBL6665739 0.85 SPHK1 (0.46) SPHK1ALDH1A1LMNAMAPTSPHK2
SCHEMBL6667099 0.85 CYP11B1 (0.31) ALDH1A1LMNAMAPT
SCHEMBL6664089 0.85 PDE2A (0.32) 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