SCHEMBL7204626

SCHEMBL7204626

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KLK7 P49862 4/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34
MMP1 P03956 1/20 0.34
CACNA1B Q00975 1/20 0.34
REN P00797 4/20 0.33
BMP1 P13497 1/20 0.33
CASP1 P29466 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL7852252 0.93 OPRK1 (0.36) OPRK1CTSSCTSKFNTAFNTB
SCHEMBL7212756 0.87 KLK7 (0.36) OPRK1CTSSCTSKFNTAFNTB
SCHEMBL7210238 0.81 OPRK1 (0.36) OPRK1CTSSCTSKFNTAFNTB
SCHEMBL7205034 0.80 FNTA (0.37) OPRK1FNTAFNTBKLK7MMP2
SCHEMBL7205002 0.74 FNTA (0.38) OPRK1FNTAFNTBKLK7MMP2
SCHEMBL7858173 0.73 TSHR (0.34)
SCHEMBL7852245 0.70 CTSS (0.52) CTSSCTSKMMP2MMP3MMP1
SCHEMBL7852248 0.70 MMP1 (0.37) OPRK1CTSSCTSKMMP2MMP3
SCHEMBL7205030 0.70 MMP2 (0.48) KLK7MMP2MMP3MMP1CASP1
SCHEMBL7204995 0.68 MMP2 (0.50) CTSSCTSKMMP2MMP3MMP1

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