SCHEMBL8539170

SCHEMBL8539170

CC(C)(C)c1cc(C=C2C(=O)N(c3ccccn3)c3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.54
EGFR P00533 2/20 0.53
ERBB2 P04626 2/20 0.53
IGF1R P08069 1/20 0.53
SIRT1 Q96EB6 1/20 0.47
EEF2K O00418 1/20 0.45
SRC P12931 1/20 0.45
APP P05067 2/20 0.42
MAPT P10636 2/20 0.42
SNCA P37840 2/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8539007 0.89 CTRC (0.48) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL8539935 0.84 MAPT (0.57) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL8544308 0.83 ERBB2 (0.49) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL8542369 0.83 ERBB2 (0.48) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL8543090 0.80 EGFR (0.50) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL7370909 0.80 ERBB2 (0.57) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL7370906 0.80 ERBB2 (0.57) CTRCEGFRERBB2IGF1RSIRT1
SCHEMBL7672585 0.80 APP (0.52) ERBB2APPMAPTSNCAMEN1
SCHEMBL7672581 0.80 APP (0.52) ERBB2APPMAPTSNCAMEN1
SCHEMBL8544253 0.77 ERBB2 (0.54) CTRCEGFRERBB2IGF1RSIRT1

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 2 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 claimed
EP-0580502-A1 3-(Hydroxybenzylidenyl)-indoline-2-ones and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP claimed