SCHEMBL18898764

SCHEMBL18898764

CC1NC(=O)C(CC(=O)O)NC(=O)C(CCCN)NC(=O)CNC(=O)C(C)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)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.62
▸ DRD1 P21728 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ CD2 P06729 1/20 0.40
▸ CD58 P19256 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.38
▸ ITGB3 P05106 14/20 0.38
▸ ITGAV P06756 12/20 0.38
▸ ITGB1 P05556 5/20 0.38
▸ ITGA5 P08648 5/20 0.38
▸ KEAP1 Q14145 2/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ ITGB6 P18564 4/20 0.37
▸ ITGB8 P26012 4/20 0.37
▸ ITGB5 P18084 3/20 0.37
▸ ITGA2B P08514 3/20 0.36

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 0.92 CTSL (0.66) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL8354015 0.91 CTSL (0.68) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL8356922 0.90 CTSL (0.57) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL8354165 0.88 CTSL (0.73) CTSLDRD1PTGS1PDE4ACD2
SCHEMBL17253268 0.86 CTSL (0.75) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8357546 0.86 CTSL (0.75) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8354294 0.86 CTSL (0.75) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8242524 0.86 CTSL (0.77) CTSLDRD1PTGS1PDE4AST14
SCHEMBL8221749 0.85 CTSL (0.66) CTSLDRD1PTGS1PDE4AST14
SCHEMBL17486431 0.84 CTSL (0.67) 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
US-9662397-B2 Lipopeptide compositions and related methods MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
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