SCHEMBL8962021

SCHEMBL8962021

CC(C)(C)c1cc(C=C2S/C(=N\CC(=O)O)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.72
PTGS1 P23219 4/20 0.72
PTPN1 P18031 6/20 0.51
CDC25B P30305 6/20 0.51
GAA P10253 1/20 0.47
ALOX5 P09917 1/20 0.46
GSK3B P49841 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
DUSP3 P51452 1/20 0.46

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
SCHEMBL8962019 1.00 PTGS2 (0.72) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962024 1.00 PTGS2 (0.72) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962125 1.00 PTGS2 (0.72) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962134 1.00 PTGS2 (0.72) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962129 0.86 PTGS2 (0.72) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8961985 0.86 PTGS2 (0.72) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962104 0.82 PTGS2 (0.69) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962105 0.82 PTGS2 (0.69) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL8962110 0.82 PTGS2 (0.69) PTGS2PTGS1PTPN1CDC25BGAA
SCHEMBL29369078 0.81 PTGS2 (1.00) PTGS2PTGS1GAAALOX5

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
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
US-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US claimed