SCHEMBL7205030

SCHEMBL7205030

N[C@@H](CC(=O)O)C(=O)NC(CCC1CCCCC1)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.48
MMP1 P03956 8/20 0.48
MMP3 P08254 8/20 0.48
CASP1 P29466 1/20 0.42
KLK7 P49862 1/20 0.42
LTA4H P09960 1/20 0.41
KIF11 P52732 1/20 0.40
CPB2 Q96IY4 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CASP3 P42574 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL7206374 0.95 MMP2 (0.44) MMP2MMP1MMP3CASP1KLK7
SCHEMBL7204995 0.90 MMP2 (0.50) MMP2MMP1MMP3LTA4HCPB2
Hydrochloric Acid SCHEMBL7205141 0.89 MMP2 (0.49) MMP2MMP1MMP3LTA4HCPB2
SCHEMBL7852245 0.75 CTSS (0.52) MMP2MMP1MMP3
SCHEMBL7205034 0.74 FNTA (0.37) MMP2MMP1MMP3KLK7KIF11
SCHEMBL7212756 0.74 KLK7 (0.36) MMP2MMP1MMP3KLK7METAP2
SCHEMBL4960993 0.74 MMP1 (0.44) MMP2MMP1MMP3LTA4HCPB2
SCHEMBL27182937 0.74 MMP1 (0.44) MMP2MMP1MMP3LTA4HCPB2
SCHEMBL7205002 0.73 FNTA (0.38) MMP2MMP1MMP3KLK7KIF11
SCHEMBL29615970 0.73 LTA4H (0.61) MMP2MMP1MMP3LTA4H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-6180759-B1 PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed