SCHEMBL10659847

SCHEMBL10659847

COC(=O)CC(=O)C[S+](C)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
RECQL P46063 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
SCHEMBL2930861 0.83
SCHEMBL20931262 0.81 GAA (0.54) MGAMGAASIMGAM2TSHR
SCHEMBL8153060 0.77 TDP1 (0.32)
SCHEMBL27976 0.74 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL15688315 0.72 MGAM (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL8617909 0.70
SCHEMBL11894877 0.70 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL11756126 0.69 TSHR (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL27730190 0.69 TSHR (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL3441102 0.68 MGAM (0.69) MGAMGAASIMGAM2TSHR

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-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 US disclosed