SCHEMBL8047116

SCHEMBL8047116

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
AOC3 Q16853 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FASN P49327 1/20 0.33
HPGD P15428 1/20 0.33
KDM1A O60341 4/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ACACB O00763 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10782473 1.00 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10779966 0.96 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL8048352 0.96 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL8035905 0.94 ALDH1A1 (0.40) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10785483 0.94 ALDH1A1 (0.40) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10785107 0.94 ALDH1A1 (0.41) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10782587 0.94 ALDH1A1 (0.41) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10782607 0.94 ALDH1A1 (0.41) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10785549 0.94 ALDH1A1 (0.41) CYP2C9ALDH1A1MAPTLMNATRPV4
SCHEMBL10785545 0.94 ALDH1A1 (0.41) CYP2C9ALDH1A1MAPTLMNATRPV4

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