SCHEMBL7270948

SCHEMBL7270948

CC(=O)CC(=O)OC1CSC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAAA Q02083 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7740543 0.80 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11293843 0.80 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2005549 0.77 NAAA (0.52) MGAMGAASIMGAM2KDM4E
SCHEMBL1319964 0.77 NAAA (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7636739 0.75 EPHX1 (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7430516 0.75 MGAM (0.44) MGAMGAASIMGAM2NAAA
SCHEMBL7427174 0.72 MGAM (0.41) MGAMGAASIMGAM2NAAA
SCHEMBL20954557 0.71 MGAM (0.40) MGAMGAASIMGAM2NAAA
SCHEMBL20954287 0.71 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6939177 0.71 GAA (0.40) MGAMGAASIMGAM2ALDH1A1

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-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed