SCHEMBL5679588

SCHEMBL5679588

C=CC(C)(C)OC(=O)/C=C/C(=O)OC(C)(C)C=C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL867503 1.00 HCAR2 (0.38) HCAR2KEAP1NFE2L2ALDH1A1TP53
SCHEMBL5679594 0.91 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TP53
SCHEMBL867504 0.91 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TP53
SCHEMBL867505 0.91 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TP53
SCHEMBL1345408 0.85 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4677471 0.83 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16668509 0.79 ALOX15 (0.35) ALDH1A1
SCHEMBL9541426 0.79
SCHEMBL10340440 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1270028 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827517-B2 LOW EPOXY VALUE VINYLESTERS CONTAINING A COPPER SALT INHIBITOR ASHLAND INC (US) 2006-03-01 EP disclosed
EP-0827517-B1 LOW EPOXY VALUE VINYLESTERS CONTAINING A COPPER SALT INHIBITOR ASHLAND INC (US) 2000-11-08 EP disclosed
US-5861466-A POLYEPOXIDE ESTERIFIED WITH UNSATURATED MONOCARBOXYLIC ACID; ADDING COPPER NAPHTHENATE; STORAGE STABILITY ASHLAND INC. (US) 1999-01-19 US disclosed
EP-0827517-A4 LOW EPOXY VALUE VINYLESTERS CONTAINING A COPPER SALT INHIBITOR ASHLAND INC (US) 1998-05-27 EP disclosed
EP-0827517-A1 LOW EPOXY VALUE VINYLESTERS CONTAINING A COPPER SALT INHIBITOR ASHLAND INC. (US) 1998-03-11 EP disclosed
WO-1996028485-A1 LOW EPOXY VALUE VINYLESTERS CONTAINING A COPPER SALT INHIBITOR ASHLAND INC. (US) 1996-09-19 WO disclosed
EP-0044960-B1 PROCESS FOR ENCAPSULATING WASTES IN VINYL-ESTER RESINS, UNSATURATED POLYESTER RESINS OR MIXTURES THEREOF THE DOW CHEMICAL COMPANY (US) 1985-05-08 EP disclosed
US-4407991-A STORAGE STABILITY THE DOW CHEMICAL COMPANY (US) 1983-10-04 US disclosed
EP-0044960-A1 Process for encapsulating wastes in vinyl-ester resins, unsaturated polyester resins or mixtures thereof THE DOW CHEMICAL COMPANY (US) 1982-02-03 EP disclosed
US-4031290-A ALPHA-BETA MONOMERS, CATALYSIS PPG INDUSTRIES, INC. (US) 1977-06-21 US disclosed