SCHEMBL7205174

SCHEMBL7205174

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.61
CTSS P25774 4/20 0.54
CTSL P07711 2/20 0.54
CTSK P43235 2/20 0.54
CTSB P07858 1/20 0.54
KLK5 Q9Y337 2/20 0.54
KLK7 P49862 1/20 0.54
ACE P12821 1/20 0.50
CCKBR P32239 1/20 0.49
AKT1 P31749 1/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL11596080 0.96 REN (0.61) RENCTSSCTSLCTSKCTSB
SCHEMBL11597491 0.92 KLK7 (0.54) RENCTSSCTSLCTSKCTSB
SCHEMBL7294995 0.92 CTSS (0.56) RENCTSSCTSLCTSKCTSB
SCHEMBL27487264 0.91 KLK5 (0.60) RENCTSSCTSLCTSKCTSB
SCHEMBL21269701 0.91 KLK5 (0.60) RENCTSSCTSLCTSKCTSB
SCHEMBL30375069 0.91 KLK5 (0.60) RENCTSSCTSLCTSKCTSB
SCHEMBL3478705 0.90 KLK5 (0.60) RENCTSSCTSLCTSKCTSB
SCHEMBL15559104 0.90 KLK5 (0.60) RENCTSSCTSLCTSKCTSB
SCHEMBL11598914 0.90 KLK5 (0.60) RENCTSSCTSLCTSKCTSB
SCHEMBL11598766 0.90 REN (0.59) RENCTSSCTSLCTSKCTSB

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 5 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
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed