SCHEMBL7697044

SCHEMBL7697044

CC(C)(C)c1cc(C=C2NC(=S)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 1.00
PTGS1 P23219 4/20 1.00
GAA P10253 2/20 0.74
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.61
EEF2K O00418 1/20 0.55
SRC P12931 1/20 0.55
TOP1 P11387 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
IGF1R P08069 1/20 0.50

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
SCHEMBL7697041 1.00 PTGS2 (1.00) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL30020114 0.87 PTGS2 (0.76) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL7702586 0.85 GAA (1.00) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL7702588 0.85 GAA (1.00) PTGS2PTGS1GAAMEN1KMT2A
SCHEMBL15421687 0.78 PTGS1 (0.63) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL15421689 0.78 PTGS1 (0.63) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL15421688 0.78 PTGS1 (0.63) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL9250814 0.77 PTGS1 (0.62) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL9250811 0.77 PTGS1 (0.62) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL9248794 0.77 TOP1 (0.76) PTGS2PTGS1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5502187-A Pharmaceutically active bicyclic-heterocyclic amines THE UPJOHN COMPANY (US) 1996-03-26 US 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-5464856-A Arylmethylenyl derivatives of imidazolidinones useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1995-11-07 US disclosed
EP-0633886-A1 PHARMACEUTICALLY ACTIVE BICYCLIC-HETEROCYCLIC AMINES PHARMACIA & UPJOHN COMPANY (US) 1995-01-18 EP disclosed
US-5306822-A Mono-, di- or tri-methoxyphenylmethylene-2-thioxo-4-oxazolidinone as antihistamines WARNER-LAMBERT COMPANY (US) 1994-04-26 US disclosed
US-5290800-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1994-03-01 US disclosed
WO-1993020078-A1 PHARMACEUTICALLY ACTIVE BICYCLIC-HETEROCYCLIC AMINES THE UPJOHN COMPANY (US) 1993-10-14 WO disclosed
EP-0565135-A1 Known and selected novel arylmethylenyl derivatives of imidazolidinones useful as antiallergy agents and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-13 EP disclosed
US-5208250-A Known and selected novel arylmethylenyl derivatives of thiazolidinones, imidazolidinones and oxazolidinones useful as antiallergy agents and anti-inflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 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
EP-0343643-A2 Arylmethylenyl derivatives of thiazolidnones, imidazolidinones and oxazolidinones useful as antiallergy agents and antiinflamatory agents WARNER-LAMBERT COMPANY (US) 1989-11-29 EP disclosed