SCHEMBL7319104

SCHEMBL7319104

Cc1ccc2c(c1)/C(=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)N2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.73
EGFR P00533 4/20 0.73
IGF1R P08069 1/20 0.73
CTRC Q99895 1/20 0.58
LRRK2 Q5S007 4/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RET P07949 2/20 0.52
PDGFRB P09619 2/20 0.52
PDPK1 O15530 1/20 0.52
EEF2K O00418 1/20 0.51
SRC P12931 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RAF1 P04049 3/20 0.50
MAP1LC3B Q9GZQ8 2/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50

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
SCHEMBL7319107 1.00 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL7312530 0.90 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL7312535 0.90 ERBB2 (0.73) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL5468784 0.86 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL6694978 0.86 ERBB2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL5468785 0.86 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL5472252 0.85 ERBB2 (1.00) ERBB2EGFRIGF1RCTRCMEN1
SCHEMBL5472251 0.85 ERBB2 (1.00) ERBB2EGFRIGF1RCTRCMEN1
SCHEMBL7316682 0.84 ERBB2 (0.69) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL7316687 0.84 ERBB2 (0.69) ERBB2EGFRIGF1RCTRCLRRK2

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