SCHEMBL8046374

SCHEMBL8046374

CCOC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
CYP2C9 P11712 1/20 0.36
AOC3 Q16853 4/20 0.36
EGLN2 Q96KS0 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FASN P49327 1/20 0.34
ACACB O00763 2/20 0.33
KDM1A O60341 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NR3C2 P08235 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
SCHEMBL10779799 1.00 TRPV4 (0.36) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL10782473 0.92 CYP2C9 (0.37) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL8048352 0.92 CYP2C9 (0.37) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL8047116 0.92 CYP2C9 (0.37) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL10779966 0.92 CYP2C9 (0.37) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL20152468 0.91 CYP2C9 (0.38) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL8451896 0.91 CYP2C9 (0.38) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL7516179 0.91 CYP2C9 (0.38) TRPV4CYP2C9AOC3EGLN2ALDH1A1
SCHEMBL8035905 0.91 ALDH1A1 (0.40) TRPV4CYP2C9EGLN2ALDH1A1MAPT
SCHEMBL10785483 0.91 ALDH1A1 (0.40) TRPV4CYP2C9EGLN2ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed
EP-0155792-B1 BENZOATE DERIVATIVES HAVING POSITIVE DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1987-06-16 EP disclosed
US-4661283-A Benzoate derivatives having a large positive dielectric anisotropy value and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-04-28 US disclosed
EP-0155792-A1 Benzoate derivatives having positive dielectric anisotropy and liquid crystal compositions containing them Chisso Corporation (JP) 1985-09-25 EP disclosed