SCHEMBL8539007

SCHEMBL8539007

CC(C)(C)c1cc(C=C2C(=O)N(c3ccccn3)c3ccc(Cl)cc32)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.48
ERBB2 P04626 4/20 0.46
EGFR P00533 3/20 0.46
IGF1R P08069 1/20 0.46
SIRT1 Q96EB6 1/20 0.43
EEF2K O00418 1/20 0.41
SRC P12931 1/20 0.41
AVPR1A P37288 1/20 0.38
LRRK2 Q5S007 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RBP4 P02753 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PDGFRB P09619 1/20 0.35
ESD P10768 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
SCHEMBL8539170 0.89 CTRC (0.54) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8544637 0.77 EEF2K (0.46) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8544740 0.75 EEF2K (0.43) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8543090 0.74 EGFR (0.50) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8539935 0.73 MAPT (0.57) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8544308 0.73 ERBB2 (0.49) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8542369 0.72 ERBB2 (0.48) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL8538430 0.71 EEF2K (0.46) CTRCERBB2EGFRIGF1RSIRT1
SCHEMBL5468784 0.70 LRRK2 (0.72) CTRCERBB2EGFRIGF1RLRRK2
SCHEMBL5468785 0.70 LRRK2 (0.72) CTRCERBB2EGFRIGF1RLRRK2

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