SCHEMBL8941587

SCHEMBL8941587

COC(=O)C(C)=CC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TET2 Q6N021 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL11032462 0.83 ALDH1A1 (0.40) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL28596124 0.80 ALDH1A1 (0.34) ALDH1A1TET2
SCHEMBL11171013 0.77 ALDH1A1 (0.36) ALDH1A1TET2
SCHEMBL11171016 0.77 ALDH1A1 (0.36) ALDH1A1TET2
SCHEMBL3246109 0.76 ALDH1A1 (0.39) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL7868945 0.76 ALDH1A1 (0.39) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL2417309 0.76 ALDH1A1 (0.39) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL71370 0.76 ALDH1A1 (0.39) ALDH1A1TET2KEAP1NFE2L2HCAR2
SCHEMBL900883 0.76 ALDH1A1 (0.34) ALDH1A1TET2
SCHEMBL1782364 0.74 TSHR (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496450-A A kind of stress response type polymethyl methacrylate modified silicon boron polymer microgel and preparation method thereof 深圳航天科技创新研究院 2017-03-15 CN disclosed
EP-0732911-A4 OPTIONALLY CROSSLINKABLE COATINGS, COMPOSITIONS AND METHODS OF USE MINNESOTA MINING & MFG (US) 1996-12-30 EP disclosed
EP-0732911-A1 OPTIONALLY CROSSLINKABLE COATINGS, COMPOSITIONS AND METHODS OF USE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-09-25 EP disclosed
WO-1995015740-A1 OPTIONALLY CROSSLINKABLE COATINGS, COMPOSITIONS AND METHODS OF USE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-15 WO disclosed