SCHEMBL8962034

SCHEMBL8962034

CC(C)SC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.75
PTGS1 P23219 11/20 0.75
ALOX5 P09917 1/20 0.65
EEF2K O00418 1/20 0.45
SRC P12931 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 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
SCHEMBL8962043 1.00 PTGS2 (0.75) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962039 1.00 PTGS2 (0.75) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL7701809 0.86 PTGS2 (1.00) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL7701813 0.86 PTGS2 (1.00) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL7701811 0.86 PTGS2 (1.00) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962128 0.80 PTGS2 (0.70) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8962068 0.80 PTGS2 (0.70) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8962123 0.80 PTGS2 (0.70) PTGS2PTGS1ALOX5CYP1A2CYP2C9
Darbufelone SCHEMBL2682810 0.79 PTGS1 (1.00) PTGS2PTGS1ALOX5
Darbufelone SCHEMBL2682812 0.79 PTGS1 (1.00) PTGS2PTGS1ALOX5

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
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
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
EP-0564275-B1 Antifouling paint NIPPON PAINT CO LTD (JP) 1996-01-31 EP disclosed
US-5332431-A Alkylphenoxy group containing organosilicon compound NIPPON PAINT CO., LTD. (JP) 1994-07-26 US disclosed
EP-0564275-A1 Antifouling paint NIPPON PAINT CO., LTD. (JP) 1993-10-06 EP disclosed