SCHEMBL7573248

SCHEMBL7573248

CC[SiH2][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 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FASN P49327 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
S1PR3 Q99500 1/20 0.33
NR3C2 P08235 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ENPP2 Q13822 1/20 0.32
TRPA1 O75762 1/20 0.32
KDM1A O60341 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 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
SCHEMBL7573254 1.00 AOC3 (0.36) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL20152468 0.87 CYP2C9 (0.38) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL7516179 0.87 CYP2C9 (0.38) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL8451896 0.87 CYP2C9 (0.38) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL12892553 0.86 KDM1A (0.38) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL12152977 0.86 KDM1A (0.38) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL5886341 0.85 CYP2C9 (0.49) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL7910632 0.85 CYP2C9 (0.49) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL20152471 0.85 CYP2C9 (0.49) AOC3TRPC3TRPC6ALDH1A1MAPT
SCHEMBL7577475 0.85 GRIA1 (0.35) AOC3TRPC3TRPC6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872484-B1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2002-10-02 EP disclosed
US-5993690-A Organosilicon compound, liquid crystal composition, and liquid-crystal display element CHISSO CORPORATION (JP) 1999-11-30 US disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP disclosed