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SCHEMBL10156573

SCHEMBL10156573

CCCCCCCCC(=O)NC(CC(=O)c1ccccc1N)C(=O)NC(CC(N)=O)C(=O)NC(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 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.87
▸ DRD1 P21728 1/20 0.87
▸ PTGS1 P23219 1/20 0.87
▸ PDE4A P27815 1/20 0.87
▸ ALB P02768 1/20 0.39
▸ PLG P00747 1/20 0.38
▸ F11 P03951 1/20 0.38
▸ NPR1 P16066 1/20 0.36
▸ NPR3 P17342 1/20 0.36
▸ PLAU P00749 2/20 0.35
▸ MC4R P32245 1/20 0.34
▸ MC1R Q01726 1/20 0.34
▸ BECN1 Q14457 2/20 0.34
▸ CTSG P08311 1/20 0.34
▸ KLK7 P49862 2/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ ITGB3 P05106 2/20 0.33
▸ ITGB1 P05556 2/20 0.33

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
SCHEMBL25541761 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AALB
SCHEMBL19457321 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AALB
SCHEMBL25541779 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL8221756 0.93 CTSL (1.00) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL13491700 0.93 CTSL (1.00) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL23046993 0.93 CTSL (1.00) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL28102 0.93 CTSL (1.00) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL17253124 0.93 CTSL (1.00) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL21402170 0.93 CTSL (1.00) CTSLDRD1PTGS1PDE4AALB
Daptomycin SCHEMBL1650768 0.93 CTSL (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129342-B2 High purity lipopeptides CUBIST PHARMACEUTICALS, INC. (US) 2012-03-06 — — US disclosed
US-20110207658-A1 High Purity Lipopeptides CUBIST PHARMACEUTICALS LLC (CH) 2011-08-25 — — US disclosed
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