SCHEMBL4063473

SCHEMBL4063473

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccn2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
HCRTR2 O43614 3/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HCRTR1 O43613 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
SCHEMBL4063475 1.00 SSTR4 (0.38) SSTR4HCRTR2KDM4EPOLBGAA
SCHEMBL4067972 0.84 HSD17B10 (0.33) HCRTR2KDM4E
SCHEMBL4067977 0.84 HSD17B10 (0.33) HCRTR2KDM4E
SCHEMBL3185741 0.83 HTT (0.34) KDM4EPOLBGAA
SCHEMBL3185753 0.83 HTT (0.34) KDM4EPOLBGAA
SCHEMBL4067744 0.82 KDM4E (0.36) KDM4E
SCHEMBL4071056 0.82 KDM4E (0.36) KDM4E
SCHEMBL4067747 0.82 KDM4E (0.36) KDM4E
SCHEMBL4066138 0.82
SCHEMBL4066135 0.82

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-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed