SCHEMBL8354015

SCHEMBL8354015

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)NC(CC(=O)c2ccccc2N)C(=O)OC1C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.68
▸ DRD1 P21728 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ PDE4A P27815 1/20 0.68
▸ CD2 P06729 1/20 0.37
▸ CD58 P19256 1/20 0.37
▸ ITGB3 P05106 12/20 0.37
▸ ITGAV P06756 11/20 0.37
▸ ITGB1 P05556 5/20 0.37
▸ ITGA5 P08648 5/20 0.37
▸ ST14 Q9Y5Y6 1/20 0.36
▸ ITGB6 P18564 4/20 0.35
▸ ITGB8 P26012 4/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ITGB5 P18084 2/20 0.34
▸ ITGA2B P08514 2/20 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
SCHEMBL15177352 0.94 CTSL (0.66) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL8354165 0.92 CTSL (0.73) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL13880842 0.92 CTSL (0.59) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL18898764 0.91 CTSL (0.62) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL8357546 0.91 CTSL (0.75) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8354294 0.91 CTSL (0.75) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL17253268 0.91 CTSL (0.75) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8221749 0.91 CTSL (0.66) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8242524 0.90 CTSL (0.77) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL17486431 0.89 CTSL (0.67) CTSLDRD1PTGS1PDE4AITGB3

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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