SCHEMBL8354294

SCHEMBL8354294

CC1NC(=O)C(CC(=O)O)NC(=O)C(CCCN)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(N)CC(N)=O)C(C)OC(=O)C(CC(=O)c2ccccc2N)NC(=O)C(C(C)CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.75
▸ DRD1 P21728 1/20 0.75
▸ PTGS1 P23219 1/20 0.75
▸ PDE4A P27815 1/20 0.75
▸ NPR1 P16066 1/20 0.37
▸ NPR3 P17342 1/20 0.37
▸ PLAU P00749 2/20 0.36
▸ ALB P02768 1/20 0.35
▸ ITGB3 P05106 5/20 0.35
▸ ITGAV P06756 5/20 0.35
▸ ITGB1 P05556 3/20 0.35
▸ ITGA5 P08648 3/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ ITGB6 P18564 2/20 0.35
▸ ITGB8 P26012 2/20 0.35
▸ EPHA2 P29317 2/20 0.34
▸ CTSG P08311 2/20 0.34
▸ MC4R P32245 1/20 0.34
▸ MC1R Q01726 1/20 0.34
▸ KLK7 P49862 1/20 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
SCHEMBL8357546 1.00 CTSL (0.75) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL17253268 1.00 CTSL (0.75) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8357548 0.96 CTSL (0.70) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8226890 0.96 CTSL (0.73) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8359017 0.95 CTSL (0.69) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8354165 0.95 CTSL (0.73) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8242524 0.94 CTSL (0.77) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL12124851 0.92 CTSL (0.70) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8221738 0.92 CTSL (0.69) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8227164 0.92 CTSL (0.69) CTSLDRD1PTGS1PDE4ANPR1

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-2003017924-A2 LIPOPEPTIDE STEREOISOMERS, METHODS FOR PREPARING SAME, AND USEFUL INTERMEDIATES CUBIST PHARMACEUTICALS, INC. (US) 2003-03-06 — — WO disclosed
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