SCHEMBL8544308

SCHEMBL8544308

Cc1cc(C)nc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.49
EGFR P00533 1/20 0.49
IGF1R P08069 1/20 0.49
SIRT1 Q96EB6 1/20 0.44
CTRC Q99895 1/20 0.44
EEF2K O00418 1/20 0.42
SRC P12931 1/20 0.42
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
APP P05067 2/20 0.38
MAPT P10636 2/20 0.38
SNCA P37840 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8539170 0.83 CTRC (0.54) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL8542369 0.81 ERBB2 (0.48) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL8539935 0.81 MAPT (0.57) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL8543090 0.77 EGFR (0.50) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL7370909 0.77 ERBB2 (0.57) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL7370906 0.77 ERBB2 (0.57) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL8546141 0.74 EGFR (0.54) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL8544253 0.74 ERBB2 (0.54) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL7320047 0.73 EGFR (0.53) ERBB2EGFRIGF1RSIRT1CTRC
SCHEMBL7320051 0.73 EGFR (0.53) ERBB2EGFRIGF1RSIRT1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580502-B1 3-(Hydroxybenzylidenyl)-indoline-2-ones and pharmaceutical compositions containing them ADIR (FR) 1998-09-02 EP disclosed
US-5382593-A Antioxidants or anticoagulants ADIR ET COMPAGNIE (FR) 1995-01-17 US disclosed
EP-0580502-A1 3-(Hydroxybenzylidenyl)-indoline-2-ones and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed