SCHEMBL9856555

SCHEMBL9856555

NCCCC[C@H](N[C@@H](CC(=O)c1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
MMP9 P14780 1/20 0.50
TSHR P16473 1/20 0.46
ACE P12821 2/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FOLH1 Q04609 1/20 0.42
TLR2 O60603 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PLG P00747 1/20 0.41
KMT2A Q03164 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
SCHEMBL9856540 1.00 MMP2 (0.50) MMP2MMP9TSHRACEMAPT
SCHEMBL5720645 0.85 MMP2 (0.41) MMP2MMP9TSHRACEMAPT
SCHEMBL5720638 0.85 MMP2 (0.41) MMP2MMP9TSHRACEMAPT
SCHEMBL13750377 0.81 MMP2 (0.51) MMP2MMP9MAPTKDM4EMAPK1
SCHEMBL661267 0.79 ACE (0.65) MMP2MMP9ACETLR2ITGB3
SCHEMBL7267746 0.79 ACE (0.65) MMP2MMP9ACETLR2ITGB3
SCHEMBL5870137 0.79 ACE (0.65) MMP2MMP9ACETLR2ITGB3
SCHEMBL29017599 0.78 MMP2 (0.53) MMP2MMP9ACEFOLH1TLR2
SCHEMBL607886 0.78 ITGB3 (0.60) MMP2MMP9FOLH1ITGB3ITGA2B
SCHEMBL607885 0.78 ITGB3 (0.60) MMP2MMP9FOLH1ITGB3ITGA2B

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-0239062-B1 N2-(1-CARBOXY-3-OXO-3-PHENYLPROPYL)-L-LYSINE COMPOUNDS AND THEIR DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-29 EP disclosed
EP-0239062-A2 N2-(1-carboxy-3-oxo-3-phenylpropyl)-L-Lysine compounds and their derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-09-30 EP disclosed
EP-0239062-A2 N2-(1-carboxy-3-oxo-3-phenylpropyl)-L-Lysine compounds and their derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-09-30 EP disclosed