SCHEMBL13880842

SCHEMBL13880842

CC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)N(C)C(CC(=O)c2ccccc2N)C(=O)OC1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.59
▸ DRD1 P21728 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ ST14 Q9Y5Y6 1/20 0.38
▸ KEAP1 Q14145 2/20 0.36
▸ ITGB3 P05106 12/20 0.35
▸ ITGA2B P08514 9/20 0.35
▸ F2 P00734 2/20 0.35
▸ EPHA2 P29317 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ ITGAV P06756 3/20 0.34
▸ ITGA5 P08648 3/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGB5 P18084 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
SCHEMBL8354015 0.92 CTSL (0.68) CTSLDRD1PTGS1PDE4AST14
SCHEMBL15177352 0.86 CTSL (0.66) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8354165 0.85 CTSL (0.73) CTSLDRD1PTGS1PDE4AST14
SCHEMBL17486431 0.83 CTSL (0.67) CTSLDRD1PTGS1PDE4AST14
SCHEMBL17253268 0.83 CTSL (0.75) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8354294 0.83 CTSL (0.75) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8357546 0.83 CTSL (0.75) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8221749 0.83 CTSL (0.66) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8242524 0.82 CTSL (0.77) CTSLDRD1PTGS1PDE4AST14
SCHEMBL18898764 0.82 CTSL (0.62) CTSLDRD1PTGS1PDE4AST14

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
EP-1423137-B1 LIPOPEPTIDE STEREOISOMERS, METHODS FOR PREPARING SAME, AND USEFUL INTERMEDIATES CUBIST PHARM INC (US) 2009-04-29 — — EP disclosed
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