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Sugi Predict / Compounds / SCHEMBL8962129

SCHEMBL8962129

SCHEMBL8962129

CC(C)(C)c1cc(/C=C2\S/C(=N\CCO)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.72
▸ PTGS1 P23219 2/20 0.72
▸ CDC25B P30305 11/20 0.57
▸ PTPN1 P18031 10/20 0.57
▸ DUSP3 P51452 2/20 0.51
▸ GAA P10253 1/20 0.47

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
SCHEMBL8961985 1.00 PTGS2 (0.72) PTGS2PTGS1CDC25BPTPN1DUSP3
SCHEMBL8962019 0.86 PTGS2 (0.72) PTGS2PTGS1CDC25BPTPN1DUSP3
SCHEMBL8962024 0.86 PTGS2 (0.72) PTGS2PTGS1CDC25BPTPN1DUSP3
SCHEMBL8962125 0.86 PTGS2 (0.72) PTGS2PTGS1CDC25BPTPN1DUSP3
SCHEMBL8962021 0.86 PTGS2 (0.72) PTGS2PTGS1CDC25BPTPN1DUSP3
SCHEMBL8962134 0.86 PTGS2 (0.72) PTGS2PTGS1CDC25BPTPN1DUSP3
SCHEMBL29369078 0.81 PTGS2 (1.00) PTGS2PTGS1GAA
SCHEMBL3667218 0.79 PTGS2 (1.00) PTGS2PTGS1GAA
SCHEMBL8962138 0.79 PTGS2 (1.00) PTGS2PTGS1GAA
SCHEMBL3667216 0.79 PTGS2 (1.00) PTGS2PTGS1GAA

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
EP-0449216-B1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER LAMBERT CO (US) 1996-02-07 — — EP claimed