SCHEMBL30712853

SCHEMBL30712853

CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.54
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
CPA1 P15085 3/20 0.51
MME P08473 2/20 0.51
ACE P12821 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
CPA2 P48052 1/20 0.47
CPA4 Q9UI42 1/20 0.47
TACR1 P25103 1/20 0.45
FOLH1 Q04609 4/20 0.45
FCER2 P06734 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
ALB P02768 1/20 0.44

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
SCHEMBL30712849 1.00 GNPAT (0.54) GNPATITGB3ITGA2BCPA1MME
SCHEMBL30712848 0.97 GNPAT (0.55) GNPATITGB3ITGA2BCPA1MME
SCHEMBL30712844 0.93 MME (0.53) GNPATITGB3ITGA2BCPA1MME
SCHEMBL30712864 0.90 MME (0.60) GNPATCPA1MMEACEACE2
SCHEMBL30712855 0.90 MME (0.60) GNPATCPA1MMEACEACE2
SCHEMBL30712841 0.89 MME (0.55) GNPATITGB3ITGA2BCPA1MME
SCHEMBL30712842 0.88 GNPAT (0.52) GNPATCPA1MMEACEACE2
SCHEMBL30712856 0.88 GNPAT (0.49) GNPATCPA1MMEACEACE2
SCHEMBL30712847 0.87 GNPAT (0.50) GNPATCPA1MMEACEACE2
SCHEMBL30712846 0.87 GNPAT (0.50) GNPATCPA1MMEACEACE2

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
US-20240002438-A1 MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2024-01-04 US claimed
US-20240002438-A1 MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2024-01-04 US disclosed