Sugi Predict

Sugi Predict / Compounds / SCHEMBL19457379

SCHEMBL19457379

SCHEMBL19457379

CCCCCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](C(C)CC(=O)O)C(=O)N[C@@H](CC(=O)c3ccccc3NC)C(=O)O[C@@H]2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.75
▸ DRD1 P21728 1/20 0.75
▸ PTGS1 P23219 1/20 0.75
▸ PDE4A P27815 1/20 0.75
▸ EPHA2 P29317 3/20 0.37
▸ IL23R Q5VWK5 4/20 0.37
▸ KCNMA1 Q12791 1/20 0.36
▸ KCNMB4 Q86W47 1/20 0.36
▸ NECTIN4 Q96NY8 3/20 0.36
▸ F11 P03951 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ KRAS P01116 1/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB6 P18564 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
SCHEMBL25541971 1.00 CTSL (0.75) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25541987 1.00 CTSL (0.75) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL25542118 0.98 CTSL (0.72) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL17284900 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL13267854 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL13246889 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL29497451 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL15177344 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL29384312 0.96 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL13246848 0.96 CTSL (0.82) 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
Send feedback