SCHEMBL9435294

SCHEMBL9435294

COC(=O)[C@H](C)NC(=O)/C=C/C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKT1 P31749 2/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
HSP90AA1 P07900 1/20 0.43
BCHE P06276 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL10620390 0.87 RAB9A (0.49) MAPTAKT1MAPK1NPC1RAB9A
SCHEMBL10621126 0.86 SMN1; SMN2 (0.49) MAPTAKT1MAPK1NPC1RAB9A
SCHEMBL10621121 0.86 SMN1; SMN2 (0.49) MAPTAKT1MAPK1NPC1RAB9A
SCHEMBL27620181 0.79 PPARG (0.54) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL1686722 0.77 GAA (0.58) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL9943346 0.77 GAA (0.58) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL11069381 0.77 SMN1; SMN2 (0.48) MAPTAKT1NPC1RAB9AGAA
SCHEMBL11069383 0.77 SMN1; SMN2 (0.48) MAPTAKT1NPC1RAB9AGAA
SCHEMBL10536726 0.77 ALDH1A1 (0.61) MAPTL3MBTL1MAPK1GAAKMT2A
SCHEMBL10539767 0.77 ALDH1A1 (0.61) MAPTL3MBTL1MAPK1GAAKMT2A

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
WO-1994014768-A1 NOVEL PYRROLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO disclosed