SCHEMBL7892283

SCHEMBL7892283

O=C(OC[C@@H]1O[C@H](OC[C@H]2O[C@@H](n3ncc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
USP2 O75604 1/20 0.76
POLB P06746 1/20 0.76
KMT2A Q03164 1/20 0.76
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
P2RY2 P41231 2/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 2/20 0.39
GAPDH P04406 2/20 0.39
HRAS P01112 1/20 0.39
P2RY12 Q9H244 1/20 0.38
GSK3A P49840 2/20 0.37
RPS6KA3 P51812 2/20 0.37

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
SCHEMBL29324579 0.89 MEN1 (0.76) MEN1USP2POLBKMT2ALMNA
SCHEMBL29324578 0.87 MEN1 (1.00) MEN1USP2POLBKMT2ALMNA
SCHEMBL11789048 0.87 MEN1 (1.00) MEN1USP2POLBKMT2ALMNA
SCHEMBL10887751 0.78 MEN1 (0.76) MEN1USP2POLBKMT2ALMNA
SCHEMBL10887745 0.78 MEN1 (0.76) MEN1USP2POLBKMT2ALMNA
SCHEMBL7896853 0.78 ALDH1A1 (0.52) MEN1USP2POLBKMT2ALMNA
SCHEMBL29323294 0.76 MEN1 (0.80) MEN1USP2POLBKMT2ALMNA
SCHEMBL20256018 0.75 PTPN1 (0.48) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL21651039 0.75 PTPN1 (0.48) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL18654281 0.75 PTPN1 (0.48) MEN1USP2POLBKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027359-A4 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2001-07-25 EP disclosed
EP-1027359-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN Pharmaceuticals, Inc. (US) 2000-08-16 EP disclosed
WO-1998016186-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS, INC. (US) 1998-04-23 WO disclosed