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SCHEMBL8260113

SCHEMBL8260113

CCC(C)C1NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)CN(C)C(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC=O)C(C)OC1=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.64
▸ DRD1 P21728 1/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ PDE4A P27815 1/20 0.64
▸ KEAP1 Q14145 2/20 0.42
▸ NECTIN4 Q96NY8 11/20 0.41
▸ EPHA2 P29317 3/20 0.40
▸ F11 P03951 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.38
▸ KCNMB4 Q86W47 1/20 0.38

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
SCHEMBL14300848 0.97 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8258548 0.95 CTSL (0.58) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274890 0.93 CTSL (0.74) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14301056 0.93 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8259387 0.92 CTSL (0.70) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8256875 0.91 CTSL (0.68) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260125 0.91 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14301032 0.91 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274895 0.90 CTSL (0.66) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274622 0.90 CTSL (0.71) CTSLDRD1PTGS1PDE4AKEAP1

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-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 — — WO disclosed