SCHEMBL8961998

SCHEMBL8961998

CSC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.56
PTGS2 P35354 8/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
EEF2K O00418 1/20 0.50
SRC P12931 1/20 0.50
ALOX5 P09917 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 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
SCHEMBL8962003 1.00 PTGS1 (0.56) PTGS1PTGS2GAAMEN1ALDH1A1
SCHEMBL8962112 1.00 PTGS1 (0.56) PTGS1PTGS2GAAMEN1ALDH1A1
SCHEMBL7745576 0.74 GAA (0.50) PTGS1PTGS2GAAMEN1ALDH1A1
SCHEMBL8962055 0.73 GAA (0.49) PTGS1PTGS2GAAMEN1ALDH1A1
SCHEMBL7701813 0.72 PTGS2 (1.00) PTGS1PTGS2GAAALDH1A1EEF2K
SCHEMBL7701809 0.72 PTGS2 (1.00) PTGS1PTGS2GAAALDH1A1EEF2K
SCHEMBL7701811 0.72 PTGS2 (1.00) PTGS1PTGS2GAAALDH1A1EEF2K
SCHEMBL7702588 0.72 GAA (1.00) PTGS1PTGS2GAAMEN1ALDH1A1
SCHEMBL7702586 0.72 GAA (1.00) PTGS1PTGS2GAAMEN1ALDH1A1
SCHEMBL15321396 0.71 SMN1; SMN2 (0.50) PTGS2GAAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494927-A INHIBITS ACTIVITY OF 5-LIPOXYGENASE AND-OR CYCLOOXYGENASE WARNER-LAMBERT COMPANY (US) 1996-02-27 US claimed
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
EP-0449216-A1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 EP claimed
US-5494927-A INHIBITS ACTIVITY OF 5-LIPOXYGENASE AND-OR CYCLOOXYGENASE WARNER-LAMBERT COMPANY (US) 1996-02-27 US disclosed
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 disclosed
US-5290800-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1994-03-01 US disclosed
US-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US disclosed
EP-0449216-A1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 EP disclosed