SCHEMBL10437934

SCHEMBL10437934

CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.44
▸ GLO1 Q04760 1/20 0.40
▸ BMP1 P13497 1/20 0.40
▸ ECE1 P42892 2/20 0.39
▸ BACE1 P56817 3/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ GSTK1 Q9Y2Q3 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ TMPRSS15 P98073 2/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL10437933 1.00 NOD1 (0.44) NOD1GLO1BMP1ECE1BACE1
SCHEMBL31571919 0.96 NOD1 (0.44) NOD1GLO1BMP1ECE1PTGS1
SCHEMBL258819 0.94 NOD1 (0.42) NOD1GLO1BMP1ECE1PTGS1
SCHEMBL30930177 0.89 GLO1 (0.42) NOD1GLO1BMP1BACE1PTGS1
SCHEMBL30563321 0.89 NOD1 (0.41) NOD1GLO1BACE1PTGS1GSTK1
SCHEMBL29351135 0.86 GNPAT (0.45) NOD1GLO1BMP1BACE1PTGS1
SCHEMBL7614745 0.85 NOD1 (0.52) NOD1GLO1BMP1PTGS1GSTK1
SCHEMBL7614754 0.85 NOD1 (0.52) NOD1GLO1BMP1PTGS1GSTK1
SCHEMBL29352968 0.85 FOLH1 (0.41) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL31332141 0.85 FOLH1 (0.41) NOD1GLO1PTGS1GSTK1FOLH1

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
EP-0354652-A2 Novel alpha-N-acetylgalactosaminyltransferase and method of detecting tumour cells using same The Biomembrane Institute (US) 1990-02-14 — — EP claimed
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