SCHEMBL7210238

SCHEMBL7210238

CC(C)(C)OC(=O)[C@@](CC1CCCCC1)(NC(=O)[C@@H](N)CC(=O)O)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
MMP2 P08253 6/20 0.36
MMP3 P08254 5/20 0.36
MMP1 P03956 4/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KLK7 P49862 4/20 0.35
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
BMP1 P13497 1/20 0.34
REN P00797 3/20 0.34

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
SCHEMBL7212756 0.92 KLK7 (0.36) OPRK1MMP2MMP3MMP1METAP2
SCHEMBL7852252 0.86 OPRK1 (0.36) OPRK1MMP2MMP3MMP1METAP2
SCHEMBL7204626 0.81 OPRK1 (0.36) OPRK1MMP2MMP3MMP1FNTA
SCHEMBL7205002 0.75 FNTA (0.38) OPRK1MMP2MMP3MMP1METAP2
SCHEMBL7204995 0.73 MMP2 (0.50) MMP2MMP3MMP1METAP2METAP1
SCHEMBL7205030 0.73 MMP2 (0.48) MMP2MMP3MMP1METAP2METAP1
Hydrochloric Acid SCHEMBL7205141 0.72 MMP2 (0.49) MMP2MMP3MMP1METAP2METAP1
SCHEMBL7852248 0.71 MMP1 (0.37) OPRK1MMP2MMP3MMP1METAP2
SCHEMBL7205034 0.70 FNTA (0.37) OPRK1MMP2MMP3MMP1METAP2
SCHEMBL7315678 0.70 CTSS (0.48) CTSSCTSK

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 3 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
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