SCHEMBL8779756

SCHEMBL8779756

COC(=O)c1cc(SC)c(C(=O)OC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
OPRD1 P41143 1/20 0.43
MAPT P10636 5/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPK1 P28482 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK2A2 P19784 1/20 0.41
KDR P35968 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8779759 0.91 KEAP1 (0.42) HPGDALDH1A1MAPTTSHRKMT2A
SCHEMBL577650 0.77 MAPT (0.45) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL10679238 0.76 OPRD1 (0.44) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL3239031 0.76 KDM4E (0.54) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL6921024 0.74 HPGD (0.39) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL9403869 0.73 KDM4E (0.47) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL6923952 0.71 KEAP1 (0.41) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL3019240 0.71 KDM4E (0.46) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL5839757 0.71 KEAP1 (0.41) HPGDALDH1A1OPRD1MAPTTSHR
SCHEMBL6928589 0.71 KEAP1 (0.53) HPGDALDH1A1OPRD1MAPTTSHR

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-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed