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SCHEMBL19457469

SCHEMBL19457469

CC(CC(=O)O)[C@@H]1NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C#Cc3ccccc3)cc2)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.82
▸ DRD1 P21728 1/20 0.82
▸ PTGS1 P23219 1/20 0.82
▸ PDE4A P27815 1/20 0.82
▸ EPHA2 P29317 3/20 0.37
▸ KCNMA1 Q12791 1/20 0.36
▸ KCNMB4 Q86W47 1/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ ITGA5 P08648 2/20 0.36
▸ ITGB6 P18564 2/20 0.36
▸ ITGB8 P26012 2/20 0.36
▸ KRAS P01116 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ IL23R Q5VWK5 5/20 0.35
▸ SHH Q15465 1/20 0.35
▸ NECTIN4 Q96NY8 2/20 0.35
▸ F11 P03951 1/20 0.35
▸ TSLP Q969D9 1/20 0.35

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
SCHEMBL25541852 1.00 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25541860 0.98 CTSL (0.78) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25541924 0.96 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL19457470 0.96 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25541944 0.93 CTSL (0.72) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8415773 0.93 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227154 0.93 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8420524 0.93 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL10157516 0.93 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583 0.93 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2

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-2017173932-A1 ANTIBACTERIAL CYCLIC LIPOPEPTIDES VERSITECH LIMITED (CN) 2017-10-12 — — WO disclosed
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