SCHEMBL8933580

SCHEMBL8933580

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.78
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
CPA1 P15085 1/20 0.56
CPA2 P48052 1/20 0.56
CPA4 Q9UI42 1/20 0.56
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
ERAP2 Q6P179 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
CPB2 Q96IY4 2/20 0.53
ECE1 P42892 1/20 0.52
PAM P19021 1/20 0.51
OPRK1 P41145 1/20 0.51
FURIN P09958 1/20 0.51
ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL3801766 1.00 GNPAT (0.78) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL29550453 1.00 GNPAT (0.78) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL3801759 1.00 GNPAT (0.78) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL29368954 1.00 GNPAT (0.78) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL30698071 0.96 GNPAT (0.80) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL31181171 0.93 GNPAT (0.69) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL15862955 0.92 GNPAT (0.67) GNPATITGB3ITGA2BCPA1CPA2
SCHEMBL1711591 0.90 GNPAT (0.63) GNPATERAP2LNPEPCPB2ECE1
SCHEMBL1711765 0.90 GNPAT (0.63) GNPATERAP2LNPEPCPB2ECE1
SCHEMBL1711769 0.90 GNPAT (0.63) GNPATERAP2LNPEPCPB2ECE1

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-1996027373-A1 USE OF N-SUBSTITUTED L-PHENYLALANINE ESTERS FOR THE TREATMENT OF ECZEMA STIEFEL LABORATORIES, INC. (US) 1996-09-12 WO disclosed