SCHEMBL7320047

SCHEMBL7320047

CC(C)(C)c1cc(/C=C2\C(=O)N(C(N)=O)c3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
IGF1R P08069 1/20 0.53
EEF2K O00418 1/20 0.48
SRC P12931 1/20 0.48
SIRT1 Q96EB6 1/20 0.47
CTRC Q99895 1/20 0.47
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43
SNCA P37840 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 5/20 0.40
PTGS2 P35354 4/20 0.40
ALOX5 P09917 2/20 0.40

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
SCHEMBL7320051 1.00 EGFR (0.53) EGFRERBB2IGF1REEF2KSRC
SCHEMBL8546141 0.89 EGFR (0.54) EGFRERBB2IGF1REEF2KSRC
SCHEMBL7370906 0.83 ERBB2 (0.57) EGFRERBB2IGF1REEF2KSRC
SCHEMBL7370909 0.83 ERBB2 (0.57) EGFRERBB2IGF1REEF2KSRC
SCHEMBL8544253 0.80 ERBB2 (0.54) EGFRERBB2IGF1REEF2KSRC
SCHEMBL8539935 0.80 MAPT (0.57) EGFRERBB2IGF1REEF2KSRC
SCHEMBL8543090 0.76 EGFR (0.50) EGFRERBB2IGF1REEF2KSRC
SCHEMBL8539170 0.76 CTRC (0.54) EGFRERBB2IGF1REEF2KSRC
SCHEMBL3134213 0.76 EGFR (0.67) EGFRERBB2IGF1REEF2KSRC
SCHEMBL30554601 0.76 EGFR (0.67) EGFRERBB2IGF1REEF2KSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124347-A Inhibits 5-lipoxygenase and cyclooxygenase; for treatment of allergies, arthritis, pain WARNER-LAMBERT CO. (US) 1992-06-23 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