SCHEMBL8766812

SCHEMBL8766812

CC(C)(C)c1cc(-c2nncs2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 16/20 0.58
PTGS2 P35354 11/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALOX5 P09917 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
SCHEMBL9180604 0.75 PTGS1 (0.68) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL9457150 0.75 SMPD3 (0.58) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL9179869 0.74 PTGS1 (1.00) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL9185074 0.74 PTGS1 (0.66) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL803157 0.73 CA2 (1.00) PTGS1PTGS2CA1CA2
SCHEMBL9312733 0.73 PTGS1 (0.61) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL9180823 0.72 PTGS1 (1.00) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL1927808 0.72 PTGS1 (0.48) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL9503225 0.71 PTGS1 (0.43) PTGS1PTGS2CA1CA2ALOX5
SCHEMBL9731608 0.71 HPN (0.49) PTGS1PTGS2CA1CA2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP claimed
US-5155122-A Cyclooxygenase, lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-10-13 US claimed
EP-0371438-A2 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1990-06-06 EP claimed
JP-2270865-A None JP disclosed
EP-0787130-A1 DI-TERT-BUTYLPHENOL COMPOUNDS WITH HETEROCYCLIC MOIETY, USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 EP disclosed
WO-1996012710-A1 DI-TERT-BUTYLPHENOL COMPOUNDS WITH HETEROCYCLIC MOIETY, USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP disclosed
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP disclosed
US-5376670-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-12-27 US disclosed
US-5376670-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-12-27 US disclosed
US-5342958-A Insecticides SOLVAY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-08-30 US disclosed
US-4166124-A IMIDAZOLE OR PYRIMIDINE RINGS U.S. PHILIPS CORPORATION (US) 1979-08-28 US disclosed
US-4156007-A INSECTICIDES U.S. PHILIPS CORPORATION (US) 1979-05-22 US disclosed
US-4110469-A Insecticidal N-(2,6-dichlorobenzoyl)-N'-(4-cyanophenyl) urea U.S. PHILIPS CORPORATION (US) 1978-08-29 US disclosed
US-4070365-A INSECTICIDES U.S. PHILIPS CORPORATION (US) 1978-01-24 US disclosed
US-4013717-A BENZOYL PHENYL UREA DERIVATIVES HAVING INSECTICIDAL ACTIVITIES U.S. PHILIPS CORPORATION (US) 1977-03-22 US disclosed
US-4010271-A NOVEL PYRAZOLINE COMPOUNDS HAVING INSECTICIDAL ACTIVITY U.S. PHILIPS CORPORATION (US) 1977-03-01 US disclosed
US-3991073-A Pyrazoline compounds having insecticidal activity U.S. PHILIPS CORPORATION (US) 1976-11-09 US disclosed
US-3989842-A Certain substituted benzoyl urea insecticides U.S. PHILIPS CORPORATION (US) 1976-11-02 US disclosed
US-3933908-A INSECTICIDE U.S. PHILIPS CORPORATION (US) 1976-01-20 US disclosed