SCHEMBL15030985

SCHEMBL15030985

CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc4c(c3)NC(=O)C(C)(C)O4)c2)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SLC5A2 P31639 18/20 0.40
PTPN1 P18031 1/20 0.40
SLC5A1 P13866 4/20 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
SCHEMBL16730441 1.00 TSHR (0.47) TSHRSLC5A2PTPN1SLC5A1
SCHEMBL1670119 1.00 TSHR (0.47) TSHRSLC5A2PTPN1SLC5A1
SCHEMBL10227570 1.00 TSHR (0.47) TSHRSLC5A2PTPN1SLC5A1
SCHEMBL18522188 1.00 TSHR (0.47) TSHRSLC5A2PTPN1SLC5A1
SCHEMBL1670118 1.00 TSHR (0.47) TSHRSLC5A2PTPN1SLC5A1
SCHEMBL10276121 1.00 TSHR (0.47) TSHRSLC5A2PTPN1SLC5A1
SCHEMBL18511212 0.94 TSHR (0.40) TSHRSLC5A2SLC5A1
SCHEMBL15030914 0.86 SLC5A2 (0.35) TSHRSLC5A2SLC5A1
SCHEMBL16090889 0.86 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL16727621 0.86 SLC5A2 (0.40) SLC5A2SLC5A1

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
US-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 US disclosed