SCHEMBL23197896

SCHEMBL23197896

O=C(O)CNCCN(CC(=O)O)CC(Cc1ccc(NC(=O)CCOCCOCCOCc2cn(C[C@@H]3O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1)N(CCNCC(=O)O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.35
DGAT1 O75907 8/20 0.32
PTPN1 P18031 3/20 0.30
CDC25B P30305 3/20 0.30
PTPN2 P17706 2/20 0.30
CDC25A P30304 1/20 0.30

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
SCHEMBL23197895 0.88 PTPN1 (0.34) PTPN1CDC25BPTPN2CDC25A
SCHEMBL23191932 0.74 FOLH1 (0.39) FOLH1DGAT1PTPN1CDC25BPTPN2
SCHEMBL23191929 0.69 PTPN1 (0.35) FOLH1PTPN1CDC25BPTPN2CDC25A
SCHEMBL23197894 0.63 KDM4E (0.30)
SCHEMBL19389395 0.61 OPRM1 (0.31)
SCHEMBL16350583 0.60 CA1 (0.43)
SCHEMBL21652481 0.60 CA1 (0.46)
SCHEMBL13224654 0.60 RORC (0.45)
SCHEMBL21652483 0.60 CA1 (0.46)
SCHEMBL19017944 0.60 HSD17B10 (0.34)

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-2021067738-A1 DEVELOPMENT OF IMAGING AND THERAPEUTIC GLUCOSE ANALOGUES FOR SODIUM DEPENDENT GLUCOSE TRANSPORTERS UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-04-08 WO disclosed