SCHEMBL8544740

SCHEMBL8544740

CC(C)(C)c1cc(C=C2C(=O)N(c3c(Cl)cccc3Cl)c3cc(Cl)ccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.43
SRC P12931 1/20 0.43
ERBB2 P04626 3/20 0.43
EGFR P00533 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
IGF1R P08069 1/20 0.43
CTRC Q99895 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
DHFR P00374 1/20 0.38
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL8543090 0.89 EGFR (0.50) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8538430 0.80 EEF2K (0.46) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8544874 0.77 EGFR (0.45) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8539007 0.75 CTRC (0.48) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8539935 0.73 MAPT (0.57) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8544637 0.73 EEF2K (0.46) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8540860 0.72 EEF2K (0.41) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL7370909 0.72 ERBB2 (0.57) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL7370906 0.72 ERBB2 (0.57) EEF2KSRCERBB2EGFRSIRT1
SCHEMBL8546141 0.71 EGFR (0.54) EEF2KSRCERBB2EGFRSIRT1

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 1 patent. 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