SCHEMBL8363003

SCHEMBL8363003

C=CCOC(=O)NCCCC1NC(=O)CNC(=O)C(NC(=O)C(N)CC(=O)O)C(C)OC(=O)C(CC(=O)c2ccccc2N)NC(=O)C(C(C)CC(=O)O)NC(=O)CNC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ CTSG P08311 2/20 0.35
▸ PLAU P00749 3/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ ITGB3 P05106 6/20 0.33
▸ ITGAV P06756 6/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA5 P08648 1/20 0.33
▸ ELANE P08246 4/20 0.32
▸ PIN1 Q13526 2/20 0.32
▸ ITGB5 P18084 2/20 0.32

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
SCHEMBL8227193 0.97 CTSL (0.58) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8424783 0.97 CTSL (0.58) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8242592 0.97 CTSL (0.58) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL14215178 0.95 CTSL (0.57) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8244573 0.91 CTSL (0.64) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8227371 0.91 CTSL (0.64) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8242455 0.89 CTSL (0.60) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8244946 0.88 CTSL (0.59) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8242626 0.88 CTSL (0.53) CTSLDRD1PTGS1PDE4ACTSG
SCHEMBL8242481 0.88 CTSL (0.53) CTSLDRD1PTGS1PDE4ACTSG

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-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 — — WO disclosed
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