SCHEMBL23197895

SCHEMBL23197895

CC(C)(C)OC(=O)CNCCN(CC(=O)OC(C)(C)C)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)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.34
CDC25B P30305 6/20 0.34
PTPN2 P17706 3/20 0.34
CDC25A P30304 2/20 0.34

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
SCHEMBL23197896 0.88 FOLH1 (0.35) PTPN1CDC25BPTPN2CDC25A
SCHEMBL23197894 0.77 KDM4E (0.30)
SCHEMBL23191929 0.75 PTPN1 (0.35) PTPN1CDC25BPTPN2CDC25A
SCHEMBL23197893 0.68 ACACB (0.31)
SCHEMBL23191932 0.68 FOLH1 (0.39) PTPN1CDC25BPTPN2CDC25A
SCHEMBL10054669 0.64 PPIB (0.32)
SCHEMBL5031100 0.63 PPARG (0.40)
SCHEMBL23192044 0.60 PTGS2 (0.41)
SCHEMBL12438493 0.60
SCHEMBL23197899 0.59 NPC1 (0.46)

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