SCHEMBL9179130

SCHEMBL9179130

Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
TYR P14679 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9177585 0.82 PTGS1 (0.62) PTGS1PTGS2CA2CA1
SCHEMBL21968465 0.80 L3MBTL1 (0.59) PTGS1PTGS2CA2CA1L3MBTL1
SCHEMBL8554106 0.79 L3MBTL1 (0.56) CA2CA1L3MBTL1SMN1; SMN2
SCHEMBL2470646 0.78 CA2 (0.70) PTGS1PTGS2CA2CA1CYP1A2
SCHEMBL19294277 0.76 L3MBTL1 (0.54) CA2CA1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30358340 0.74 PTGS1 (0.63) PTGS1PTGS2CA2CA1
SCHEMBL8977892 0.73 L3MBTL1 (0.50) PTGS1PTGS2CA2CA1L3MBTL1
SCHEMBL6935323 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9180953 0.73 CA2 (0.52) PTGS1PTGS2CA2CA1CYP1A2
SCHEMBL17068997 0.72 L3MBTL1 (0.62) CA2CA1L3MBTL1POLBSMN1; SMN2

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 8 patents. 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-5256680-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-26 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
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-5256680-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-26 US disclosed
US-5155122-A Cyclooxygenase, lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
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 disclosed