SCHEMBL28848661

SCHEMBL28848661

Cc1cc(N(C)O[SH](=O)=O)c(C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ GFER P55789 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ DAO P14920 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
SCHEMBL27395318 0.69 CSNK2A1 (0.42) ALDH1A1
SCHEMBL28167213 0.69 CSNK2A1 (0.46) ALDH1A1GFER
SCHEMBL28122542 0.66 ALDH1A1 (0.43) ALDH1A1LMNATSHRHSD17B10
SCHEMBL5104631 0.66 PKM (0.52) PKMNPSR1RXFP1ALDH1A1LMNA
SCHEMBL28167214 0.65 ALDH1A1 (0.46) ALDH1A1LMNATSHRHSD17B10
SCHEMBL4547877 0.64 ALDH1A1 (0.55) PKMNPSR1RXFP1ALDH1A1LMNA
SCHEMBL9526014 0.64 PKM (0.46) PKMNPSR1RXFP1ALDH1A1LMNA
SCHEMBL28053872 0.64 DAO (0.44) ALDH1A1DAO
SCHEMBL9836065 0.63 PKM (0.48) PKMNPSR1RXFP1ALDH1A1LMNA
SCHEMBL12104573 0.63 PKM (0.48) PKMNPSR1RXFP1ALDH1A1LMNA

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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