SCHEMBL6662825

SCHEMBL6662825

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.32
TRPV1 Q8NER1 9/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TACR1 P25103 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 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
SCHEMBL6664078 0.96 TRPV1 (0.35) SPHK1TRPV1ALDH1A1LMNAMAPT
SCHEMBL6663433 0.93 ALDH1A1 (0.38) TRPV1ALDH1A1LMNAMAPTTACR1
SCHEMBL6667610 0.93 ALDH1A1 (0.36) SPHK1TRPV1ALDH1A1LMNAMAPT
SCHEMBL6665832 0.90 MAPT (0.34) SPHK1TRPV1ALDH1A1LMNAMAPT
SCHEMBL6663123 0.88 MAPT (0.35) SPHK1ALDH1A1LMNAMAPTTACR1
SCHEMBL6660738 0.87 MAPT (0.38) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6665399 0.86 PDE2A (0.37)
SCHEMBL6666956 0.85 SPHK1 (0.41) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6664089 0.85 PDE2A (0.32) ALDH1A1LMNAMAPT
SCHEMBL6667099 0.85 CYP11B1 (0.31) 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