SCHEMBL3397292

SCHEMBL3397292

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2c(C)ccnc2-c2ccoc2)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
NTMT1 Q9BV86 1/20 0.32
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL315135 1.00 PTPN1 (0.34) PTPN1PTPN6PTPN11NTMT1POLB
SCHEMBL2138203 0.85 ALDH1A1 (0.33) GAA
SCHEMBL2142166 0.85 ALDH1A1 (0.33) GAA
SCHEMBL314951 0.85 PTPN1 (0.34) PTPN1PTPN6PTPN11POLBGAA
SCHEMBL314950 0.85 PTPN1 (0.34) PTPN1PTPN6PTPN11POLBGAA
SCHEMBL3399022 0.84 CYP2A6 (0.37) PTPN1NTMT1
SCHEMBL314611 0.84 CYP2A6 (0.37) PTPN1NTMT1
SCHEMBL314668 0.81 BRD4 (0.32)
SCHEMBL314667 0.81 BRD4 (0.32)
SCHEMBL314670 0.81 PTPN1 (0.32) PTPN1PTPN6PTPN11NTMT1POLB

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-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed