SCHEMBL7702200

SCHEMBL7702200

C#CCC(C)(C)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.61
PTGS1 P23219 3/20 0.61
PTGS2 P35354 3/20 0.61
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
F2R P25116 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7703814 0.82 ALOX5 (0.69) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7700940 0.81 ALOX5 (0.60) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7701417 0.78 ALOX5 (0.83) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7701353 0.78 ALOX5 (0.56) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9154003 0.77 ALOX5 (0.54) ALOX5PTGS1PTGS2LMNARECQL
Tebufelone SCHEMBL43674 0.76 PTGS2 (1.00) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9156253 0.76 ALOX5 (0.53) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9156265 0.76 ALOX5 (0.53) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL8766229 0.76 ALOX5 (0.56) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7696046 0.75 PTGS2 (0.91) ALOX5PTGS1PTGS2LMNARECQL

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
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
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US disclosed