SCHEMBL6560775

SCHEMBL6560775

COC(=O)Cc1ccc([S+](C)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL8362736 0.84 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL833396 0.83 IDO1 (0.46) CYP4F2CYP4A11ALDH1A1MAPTLMNA
SCHEMBL9071818 0.83 CYP4Z1 (0.49) CYP4F2CYP4A11ALDH1A1SMN1; SMN2NPC1
SCHEMBL4113212 0.82 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL12750993 0.80 SLC7A5 (0.50) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL11168267 0.79 POLB (0.46) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL2651751 0.79 CA2 (0.52) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL7433303 0.76 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL7646565 0.76 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL4613929 0.75 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1GAAGFER

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-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed