SCHEMBL3465913

SCHEMBL3465913

COC(=O)Oc1sc(=S)sc1OC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CUL4A Q13619 2/20 0.32
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL6207825 0.73 HSD17B10 (0.33) HSD17B10MAPTTSHRKMT2AKDM4E
SCHEMBL1654688 0.67 HSD17B10 (1.00) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL8444769 0.65 HSD17B10 (0.35) HSD17B10MAPTKMT2AALDH1A1KDM4E
SCHEMBL6938651 0.64 HSD17B10 (0.47) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL3672729 0.63 KDM4E (0.37) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL10804734 0.63 HPGD (0.41) HSD17B10MAPTKMT2AALDH1A1KDM4E
SCHEMBL8819550 0.63 HSD17B10 (0.31) HSD17B10MAPTTSHRKMT2AALDH1A1
SCHEMBL4971363 0.61
SCHEMBL20796 0.61
SCHEMBL4748477 0.61 ALDH1A1 (0.54) HSD17B10TSHRALDH1A1KDM4EHPGD

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-2010043218-A2 TETRATHIOL LIGANDS, METAL COMPLEXES, CONJUGATES, AND KITS, THE USE THEREOF IN NUCLEAR MEDICINE DIAGNOSTICS AND ENDORADIONUCLIDE THERAPY, AND METHOD FOR PRODUCING THE TETRATHIOL LIGANDS AND METAL COMPLEXES FORSCHUNGSZENTRUM DRESDEN - ROSSENDORF E. V. (DE) 2010-04-22 WO disclosed