SCHEMBL27395318

SCHEMBL27395318

Cc1ccc(C(=O)O)c(N(C)O[SH](=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.42
▸ AKR1C3 P42330 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ ABCC1 P33527 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL28167213 0.88 CSNK2A1 (0.46) CSNK2A1ALDH1A1MEN1KMT2AMCL1
SCHEMBL27396814 0.85 NR4A2 (0.41) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL28122542 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL2420457 0.78 CSNK2A1 (0.52) CSNK2A1AKR1C3AKR1C2ALDH1A1MEN1
SCHEMBL27436883 0.75 CSNK2A1 (0.42) CSNK2A1AKR1C3AKR1C2ALDH1A1MEN1
SCHEMBL28167214 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL28286413 0.71 MEN1 (0.45) CSNK2A1AKR1C3AKR1C2ALDH1A1MEN1
SCHEMBL7558061 0.71 CSNK2A1 (0.44) CSNK2A1ALDH1A1MEN1KMT2ACA12
SCHEMBL28173394 0.70 CSNK2A1 (0.52) CSNK2A1ALDH1A1MEN1KMT2AMCL1
SCHEMBL28848661 0.69 PKM (0.38) ALDH1A1

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
CN-1082790-C Herbicides RHONE POULENE AGRICULTURE LTD (GB) 2002-04-17 — — CN disclosed
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