SCHEMBL9747723

SCHEMBL9747723

NCCCCC(N)C(=O)N(C(=O)C(N)Cc1c[nH]cn1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MC4R P32245 6/20 0.39
MC5R P33032 4/20 0.39
MC3R P41968 4/20 0.39
LTA4H P09960 1/20 0.37
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CPB2 Q96IY4 2/20 0.34
GSR P00390 1/20 0.34

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
SCHEMBL5884482 0.90 GSR (0.38) MMP2MC4RMC5RMC3RITGB3
SCHEMBL5598626 0.86 ALPI (0.38) LTA4HALPIPKMPTGS1XIAP
SCHEMBL5598801 0.86 ALPI (0.38) MMP2MC4RMC5RMC3RALPI
Phenylalanine SCHEMBL18297982 0.84 SLC7A5 (0.50) MMP2MC4RMC5RMC3RLTA4H
SCHEMBL3948451 0.84 GSR (0.37) MMP2ITGB3ITGA2BCPB2GSR
SCHEMBL5598612 0.84 GSR (0.34) ITGB3ITGA2BCPB2GSR
SCHEMBL15023743 0.83 GSR (0.35) CPB2GSR
SCHEMBL1959818 0.83 CPB2 (0.33) ITGB3ITGA2BCPB2GSR
SCHEMBL8781595 0.82 CPB2 (0.33) CPB2GSR
SCHEMBL259086 0.82 GSR (0.34) ITGB3ITGA2BCPB2GSR

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-0514460-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1992-11-25 EP disclosed
WO-1991012267-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1991-08-22 WO disclosed