SCHEMBL7316682

SCHEMBL7316682

CC(C)(C)c1cc(/C=C2\C(=O)Nc3ccc(C(=O)O)cc32)cc(C(C)(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.69
EGFR P00533 2/20 0.69
IGF1R P08069 1/20 0.69
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RAF1 P04049 4/20 0.55
AURKA O14965 1/20 0.55
TLK2 Q86UE8 3/20 0.55
JAK3 P52333 2/20 0.55
PDPK1 O15530 1/20 0.55
CTRC Q99895 1/20 0.55
PIM1 P11309 1/20 0.51
LRRK2 Q5S007 1/20 0.50
PDGFRB P09619 3/20 0.49
FGFR1 P11362 3/20 0.49
KDR P35968 3/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL7316687 1.00 ERBB2 (0.69) ERBB2EGFRIGF1RMEN1KMT2A
SCHEMBL7702506 0.85 ERBB2 (0.61) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL7702511 0.85 ERBB2 (0.61) ERBB2EGFRIGF1RRAF1AURKA
SCHEMBL7319107 0.84 ERBB2 (0.73) ERBB2EGFRIGF1RMEN1KMT2A
SCHEMBL7319104 0.84 ERBB2 (0.73) ERBB2EGFRIGF1RMEN1KMT2A
SCHEMBL5468784 0.83 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL5468785 0.83 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL6694978 0.83 ERBB2 (0.72) ERBB2EGFRIGF1RMEN1KMT2A
SCHEMBL5773177 0.82 RAF1 (0.79) EGFRMEN1KMT2ARAF1AURKA
SCHEMBL7982366 0.82 RAF1 (0.69) ERBB2EGFRMEN1KMT2ARAF1

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 7 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
US-5124347-A Inhibits 5-lipoxygenase and cyclooxygenase; for treatment of allergies, arthritis, pain WARNER-LAMBERT CO. (US) 1992-06-23 US disclosed