SCHEMBL6513023

SCHEMBL6513023

CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O.C[S+](C)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.49
BMP1 P13497 3/20 0.43
GNPAT O15228 1/20 0.40
HIF1A Q16665 1/20 0.39
TASP1 Q9H6P5 1/20 0.37
PTPN1 P18031 1/20 0.37
CPA1 P15085 1/20 0.35
CPA2 P48052 1/20 0.35
CPA4 Q9UI42 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.34
HPGDS O60760 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
FOLH1 Q04609 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
RIMKLA Q8IXN7 1/20 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
SCHEMBL6519720 0.91 SIRT5 (0.56) SIRT5BMP1GNPATHIF1ATASP1
SCHEMBL29150369 0.87 GNPAT (0.53) SIRT5BMP1GNPATHIF1ACPA1
SCHEMBL17951006 0.86 SIRT5 (0.60) SIRT5BMP1GNPATHIF1APTPN1
SCHEMBL17192782 0.85 SIRT5 (0.50) SIRT5BMP1GNPATHIF1ATASP1
SCHEMBL1764311 0.85 SIRT5 (0.51) SIRT5BMP1GNPATHIF1ATASP1
SCHEMBL1764312 0.85 SIRT5 (0.51) SIRT5BMP1GNPATHIF1ATASP1
SCHEMBL2248726 0.82 GNPAT (0.57) SIRT5BMP1GNPATCPA1CPA2
SCHEMBL30717266 0.82 GNPAT (0.57) SIRT5BMP1GNPATCPA1CPA2
SCHEMBL22640908 0.82 SIRT5 (0.49) SIRT5BMP1GNPATHIF1ATASP1
SCHEMBL6840688 0.80 SIRT5 (0.51) SIRT5GNPATHPGDSFOLH1CA12

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-2005014488-A1 METHOD FOR DESALINATING SEA WATER AND INDUSTRIAL WASTE WATER NEUMAYR ACHIM (DE) 2005-02-17 WO disclosed