SCHEMBL8961989

SCHEMBL8961989

CN(O)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.76
PTGS1 P23219 10/20 0.76
ALOX5 P09917 2/20 0.67
POLB P06746 1/20 0.46
EEF2K O00418 1/20 0.46
SRC P12931 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8962192 0.91 PTGS2 (0.78) PTGS2PTGS1ALOX5POLBEEF2K
SCHEMBL8962137 0.91 PTGS2 (0.78) PTGS2PTGS1ALOX5POLBEEF2K
SCHEMBL8961992 0.86 PTGS2 (1.00) PTGS2PTGS1ALOX5POLBEEF2K
SCHEMBL7698980 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962093 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961923 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
Hydrochloric Acid SCHEMBL7702114 0.85 PTGS2 (0.98) PTGS2PTGS1ALOX5POLBEEF2K
SCHEMBL9346182 0.82 PTGS1 (0.53) PTGS2PTGS1ALOX5POLB
SCHEMBL8962081 0.82 PTGS2 (0.62) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962085 0.82 PTGS2 (0.62) PTGS2PTGS1ALOX5EEF2KSRC

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 6 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
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-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US disclosed