SCHEMBL14434277

SCHEMBL14434277

CCCCC1NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)[C@@H](C)CC(C)=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)NC(=O)C(C)NC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.70
▸ DRD1 P21728 1/20 0.70
▸ PTGS1 P23219 1/20 0.70
▸ PDE4A P27815 1/20 0.70
▸ KEAP1 Q14145 2/20 0.35
▸ ALB P02768 1/20 0.35
▸ ITGB3 P05106 9/20 0.34
▸ ITGAV P06756 9/20 0.34
▸ ITGB1 P05556 4/20 0.34
▸ ITGA5 P08648 4/20 0.34
▸ ITGB5 P18084 3/20 0.34
▸ ITGB6 P18564 3/20 0.34
▸ ITGB8 P26012 3/20 0.34
▸ PLAU P00749 2/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ NPR1 P16066 1/20 0.33
▸ NPR3 P17342 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 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
SCHEMBL14434171 1.00 CTSL (0.70) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14434101 0.96 CTSL (0.74) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8227164 0.95 CTSL (0.69) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8221738 0.95 CTSL (0.69) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8226890 0.92 CTSL (0.73) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8227065 0.92 CTSL (0.74) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8221749 0.91 CTSL (0.66) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8230343 0.90 CTSL (0.67) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8354165 0.90 CTSL (0.73) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8227051 0.89 CTSL (0.79) CTSLDRD1PTGS1PDE4AALB

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
US-7262268-B2 Lipopeptide stereoisomers, methods for preparing same, and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2007-08-28 — — US disclosed
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