SCHEMBL8259387

SCHEMBL8259387

CCC(C)C1NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCN)NC(=O)CNC(=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 0.70

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 0.41
OXTR P30559 2/20 0.40
EPHA2 P29317 2/20 0.39
SHH Q15465 1/20 0.39
F11 P03951 1/20 0.39
F2 P00734 1/20 0.39
TSLP Q969D9 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CTSG P08311 1/20 0.38
IL23R Q5VWK5 1/20 0.38
PRLHR P49683 1/20 0.38
FLT1 P17948 1/20 0.38
BCL2A1 Q16548 1/20 0.38
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
SCHEMBL14305575 0.96 CTSL (0.64) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8256875 0.95 CTSL (0.68) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14301032 0.95 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14301057 0.94 CTSL (0.67) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260309 0.94 CTSL (0.73) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14305569 0.94 CTSL (0.61) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14300849 0.93 CTSL (0.77) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14177523 0.93 CTSL (0.72) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8260113 0.92 CTSL (0.64) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274619 0.92 CTSL (0.75) 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