SCHEMBL7270879

SCHEMBL7270879

C=C(C)C(=O)OC1CCCCC1.CC(C)COC(C)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK10 P53779 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.30
CA12 O43570 1/20 0.30
AKR1B10 O60218 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
AKR1B1 P15121 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
HTT P42858 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
SCHEMBL5702521 0.92 STAT3 (0.34) NFKB1NFKB2RELASTAT3ALDH1A1
SCHEMBL6550268 0.89 STAT3 (0.39) STAT3ALDH1A1ALOX15MAPK1MAPK10
SCHEMBL7270930 0.89 STAT3 (0.36) NFKB1NFKB2RELASTAT3ALDH1A1
SCHEMBL7270935 0.88 STAT3 (0.34) NFKB1NFKB2RELASTAT3ALDH1A1
4-Vinylphenol SCHEMBL6553030 0.85 PPARA (0.33) STAT3TRPM8
SCHEMBL7271037 0.85 STAT3 (0.42) NFKB1NFKB2RELASTAT3ALDH1A1
SCHEMBL6552976 0.84 PPARA (0.36) TRPM8
SCHEMBL7263903 0.83 STAT3 (0.34) NFKB1NFKB2RELASTAT3ALDH1A1
4-Vinylphenol SCHEMBL6554337 0.83 PPARG (0.33) ALDH1A1ALOX15MAPK1MAPK10HSD17B10
SCHEMBL7269899 0.83 STAT3 (0.38) STAT3ALDH1A1TRPM8CA12AKR1B10

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-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed