SCHEMBL7701417

SCHEMBL7701417

C#CCCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.83
PTGS1 P23219 3/20 0.83
PTGS2 P35354 3/20 0.83
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
CA2 P00918 2/20 0.41
F2R P25116 2/20 0.41
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
Tebufelone SCHEMBL43674 0.91 PTGS2 (1.00) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL7696046 0.89 PTGS2 (0.91) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL7704620 0.88 PTGS2 (0.89) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL9420125 0.88 PTGS2 (0.89) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL7703814 0.85 ALOX5 (0.69) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL10551136 0.84 ALOX5 (0.61) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL9860963 0.83 PTGS2 (0.85) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL9860870 0.83 PTGS2 (0.84) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL9445055 0.80 ALOX5 (0.62) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL11618543 0.80 PTGS2 (0.62) ALOX5PTGS1PTGS2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US 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
EP-0593497-A1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4-ACYL-6--i(TERT)-BUTYLPHENOL COMPOUNDS. PROCTER & GAMBLE (US) 1994-04-27 EP disclosed
WO-1992017432-A1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4-ACYL-6-TERT-BUTYLPHENOL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1992-10-15 WO disclosed
US-5126487-A Reacting 2-alkyl-6-tert-butyl phenol, unsaturated carboxylic acid, trifluoroacetic anhydride THE PROCTER & GAMBLE COMPANY (US) 1992-06-30 US disclosed
EP-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP disclosed
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US disclosed