SCHEMBL7142222

SCHEMBL7142222

C=Cc1ccc(OC(C)(C)c2ccc(C=COC(C)OCC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
FBP1 P09467 1/20 0.31
RELA Q04206 1/20 0.30

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
SCHEMBL6864794 0.85 PPARG (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6882874 0.85 APP (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6555179 0.75 CTSK (0.33) FBP1
SCHEMBL6864307 0.74 CTSK (0.35) HIF1AEPAS1
4-Vinylphenol SCHEMBL6555194 0.73 CTSK (0.31)
SCHEMBL6880475 0.72 PPARG (0.32)
SCHEMBL4968520 0.72 FBP1 (0.33) FBP1
SCHEMBL6865296 0.72 PPARG (0.31)
SCHEMBL134315 0.71 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1395549 0.71 RELA (0.44) CHRNB2CHRNA7RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030039920-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-27 US disclosed
US-6432608-B1 FINENESS PATTERN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US disclosed