SCHEMBL7701809

SCHEMBL7701809

CSC1=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 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 1.00
PTGS1 P23219 9/20 1.00
ALOX5 P09917 1/20 0.70
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
MYC P01106 1/20 0.51
MAX P61244 1/20 0.51
EEF2K O00418 1/20 0.48
SRC P12931 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL7701811 1.00 PTGS2 (1.00) PTGS2PTGS1ALOX5ALDH1A1GAA
SCHEMBL7701813 1.00 PTGS2 (1.00) PTGS2PTGS1ALOX5ALDH1A1GAA
SCHEMBL8962034 0.86 PTGS2 (0.75) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962039 0.86 PTGS2 (0.75) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962043 0.86 PTGS2 (0.75) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962068 0.83 PTGS2 (0.70) PTGS2PTGS1ALOX5ALDH1A1MAPT
SCHEMBL8962128 0.83 PTGS2 (0.70) PTGS2PTGS1ALOX5ALDH1A1MAPT
SCHEMBL8962123 0.83 PTGS2 (0.70) PTGS2PTGS1ALOX5ALDH1A1MAPT
Darbufelone SCHEMBL2682810 0.82 PTGS1 (1.00) PTGS2PTGS1ALOX5ALDH1A1GAA
Darbufelone SCHEMBL2682812 0.82 PTGS1 (1.00) PTGS2PTGS1ALOX5ALDH1A1GAA

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 13 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-6420428-B1 TREATING HEPATITIS C AND HEPATIC FIBROSIS USING 2,6-DI-TERT-BUTYLPHENOL DERIVATIVES; EFFECTIVE IN SUBJECTS WITH INTERFERON INSUSCEPTIBILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-07-16 US disclosed
US-6369097-B1 Treatment and prevention of hepatic disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
US-6348493-B1 TREATMENT OF HEPATITIS C BY ADMINISTERING 2,6-DI-TER-BUTYLPHENOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-19 US disclosed
US-6218437-B1 ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-17 US disclosed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO disclosed
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