SCHEMBL8962055

SCHEMBL8962055

CN(C(=N)N)C1=NC(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
PTGS1 P23219 11/20 0.47
PTGS2 P35354 9/20 0.47
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
EEF2K O00418 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL7745576 0.81 GAA (0.50) GAAPTGS1PTGS2ALOX5MEN1
SCHEMBL8962112 0.73 PTGS1 (0.56) GAAPTGS1PTGS2ALOX5MEN1
SCHEMBL8961998 0.73 PTGS1 (0.56) GAAPTGS1PTGS2ALOX5MEN1
SCHEMBL8962003 0.73 PTGS1 (0.56) GAAPTGS1PTGS2ALOX5MEN1
SCHEMBL7702588 0.67 GAA (1.00) GAAPTGS1PTGS2MEN1ALDH1A1
SCHEMBL7702586 0.67 GAA (1.00) GAAPTGS1PTGS2MEN1ALDH1A1
SCHEMBL7697041 0.65 PTGS2 (1.00) GAAPTGS1PTGS2MEN1ALDH1A1
SCHEMBL7697044 0.65 PTGS2 (1.00) GAAPTGS1PTGS2MEN1ALDH1A1
SCHEMBL7193575 0.65 PTGS2 (0.70) GAAPTGS1PTGS2ALOX5MEN1
SCHEMBL9371718 0.65 PTGS2 (0.66) GAAPTGS1PTGS2ALOX5MEN1

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