SCHEMBL28167213

SCHEMBL28167213

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.38
▸ ABCC1 P33527 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NOTUM Q6P988 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ 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

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
SCHEMBL27395318 0.88 CSNK2A1 (0.42) CSNK2A1ALDH1A1ABCC1MEN1KMT2A
SCHEMBL28167214 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANOTUMCA1
SCHEMBL28173394 0.80 CSNK2A1 (0.52) CSNK2A1ALDH1A1ABCC1MEN1KMT2A
SCHEMBL28122542 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL19689021 0.78 ALDH1A1 (0.57) CSNK2A1ALDH1A1ABCC1MEN1KMT2A
SCHEMBL27396814 0.76 NR4A2 (0.41) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL28706175 0.75 CSNK2A1 (0.53) CSNK2A1ALDH1A1ABCC1MEN1KMT2A
SCHEMBL28684392 0.72 CSNK2A1 (0.50) CSNK2A1ALDH1A1ABCC1MEN1KMT2A
SCHEMBL19084967 0.71 CSNK2A1 (0.49) CSNK2A1ALDH1A1MEN1KMT2ANOTUM
SCHEMBL28286414 0.71 CSNK2A1 (0.49) CSNK2A1ALDH1A1MEN1KMT2AGFER

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-106986869-A Compounds and methods for for antiviral therapy 吉利德科学公司 2017-07-28 — — CN disclosed
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