SCHEMBL28914735

SCHEMBL28914735

C=Cc1ccc(OC(C)OC(C)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A3 P47895 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
ESR1 P03372 2/20 0.31
AHR P35869 1/20 0.31
RELA Q04206 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL134315 0.92 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23559184 0.87 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
4-Vinylphenol SCHEMBL8516846 0.84 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5901245 0.81 ALDH1A3 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30715489 0.81 ALDH1A3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3103083 0.80 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
4-Vinylphenol SCHEMBL6554378 0.80 RELA (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693137 0.79 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5693040 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15514155 0.79 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
CN-109791359-B Resist composition, method for forming resist pattern, polymer compound and copolymer 东京应化工业株式会社 2022-10-11 CN disclosed