SCHEMBL13428347

SCHEMBL13428347

CC(=O)c1ccc(OCC(N)=O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAOB P27338 6/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 4/20 0.42
MAPK10 P53779 1/20 0.42
MAOA P21397 3/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL12238280 0.87 PPARD (0.61) PPARDMEN1KMT2AMAOBTSHR
SCHEMBL2326829 0.86 PPARD (0.59) PPARDMEN1KMT2AMAOBTSHR
Lithium Ion SCHEMBL2326822 0.84 PPARD (0.45) PPARDMAOBTSHRMAPK1MAOA
SCHEMBL18823988 0.83 KDM4E (0.57) MEN1KMT2AMAOBTSHRALDH1A1
SCHEMBL2332124 0.82 HPGD (0.54) PPARDMEN1KMT2AMAPK1ALDH1A1
SCHEMBL16360632 0.79 ALDH1A1 (0.57) PPARDMEN1KMT2AALDH1A1LMNA
SCHEMBL312677 0.78 ALDH1A1 (0.65) MEN1KMT2AMAOBMAPK1ALDH1A1
SCHEMBL29976235 0.78 ALDH1A1 (0.65) MEN1KMT2AMAOBMAPK1ALDH1A1
SCHEMBL656717 0.77 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7344872 0.77 MCL1 (0.49) MEN1KMT2AMAPK1MAPK10ALDH1A1

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-2356092-B1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-04-16 EP disclosed
WO-2010048582-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2010-04-29 WO disclosed