SCHEMBL8546141

SCHEMBL8546141

CC(=O)N1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
IGF1R P08069 1/20 0.54
ALDH1A1 P00352 3/20 0.50
EEF2K O00418 1/20 0.49
SRC P12931 1/20 0.49
SIRT1 Q96EB6 1/20 0.48
CES1 P23141 1/20 0.48
CTRC Q99895 1/20 0.47
MAPT P10636 3/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41

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 0.89 EGFR (0.53) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL7320047 0.89 EGFR (0.53) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL7370909 0.84 ERBB2 (0.57) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL7370906 0.84 ERBB2 (0.57) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL8544253 0.81 ERBB2 (0.54) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL8539935 0.81 MAPT (0.57) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL28706911 0.81 ALDH1A1 (0.60) ERBB2ALDH1A1CES1MAPTAPP
SCHEMBL28706915 0.81 ALDH1A1 (0.60) ERBB2ALDH1A1CES1MAPTAPP
SCHEMBL8543090 0.80 EGFR (0.50) EGFRERBB2IGF1RALDH1A1EEF2K
SCHEMBL8539170 0.77 CTRC (0.54) EGFRERBB2IGF1RALDH1A1EEF2K

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 disclosed
US-5382593-A Antioxidants or anticoagulants ADIR ET COMPAGNIE (FR) 1995-01-17 US disclosed