SCHEMBL14434101

SCHEMBL14434101

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.74
▸ DRD1 P21728 1/20 0.74
▸ PTGS1 P23219 1/20 0.74
▸ PDE4A P27815 1/20 0.74
▸ PLAU P00749 2/20 0.35
▸ NPR1 P16066 1/20 0.35
▸ NPR3 P17342 1/20 0.35
▸ ITGB3 P05106 7/20 0.35
▸ ITGAV P06756 7/20 0.35
▸ ITGB1 P05556 4/20 0.35
▸ ITGA5 P08648 4/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ ALB P02768 1/20 0.35
▸ ITGB6 P18564 3/20 0.35
▸ ITGB8 P26012 3/20 0.35
▸ PLG P00747 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ ITGB5 P18084 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ CTSG P08311 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
SCHEMBL14434277 0.96 CTSL (0.70) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL14434171 0.96 CTSL (0.70) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL8226890 0.95 CTSL (0.73) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL8227065 0.94 CTSL (0.74) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL8227164 0.92 CTSL (0.69) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL8221738 0.92 CTSL (0.69) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL14434157 0.92 CTSL (0.85) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL17253268 0.91 CTSL (0.75) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL8357546 0.91 CTSL (0.75) CTSLDRD1PTGS1PDE4APLAU
SCHEMBL8354294 0.91 CTSL (0.75) CTSLDRD1PTGS1PDE4APLAU

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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