SCHEMBL7703816

SCHEMBL7703816

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
TNFRSF1A P19438 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL28912008 0.81 LMNA (0.51) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL9860917 0.81 ALOX5 (0.47) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7704543 0.79 ALOX5 (0.55) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL8495448 0.76 ALOX5 (0.65) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL47718 0.74 SMN1; SMN2 (0.59) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL4448135 0.74 LMNA (0.56) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL227202 0.74 GLRA3 (0.63) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL1928189 0.73 LMNA (0.61) ALOX5PTGS1PTGS2LMNARECQL
SCHEMBL7703814 0.73 ALOX5 (0.69) ALOX5PTGS1PTGS2LMNARECQL
Hydrochloric Acid SCHEMBL1943524 0.72 GLRA3 (0.61) 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 9 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-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