SCHEMBL28295025

SCHEMBL28295025

CCCOS(=O)(=O)c1ccc(C)cc1C[SH](=O)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDIA6 Q15084 1/20 0.31
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
F2 P00734 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL30195988 0.84 ALDH1A1 (0.38) ALDH1A1MAPTPOLBGPR55GAA
SCHEMBL1708608 0.77 POLB (0.38) ALDH1A1MAPTPOLBGPR55GAA
SCHEMBL5552171 0.76 KAT6A (0.40) ALDH1A1MAPTPOLBGPR55THRB
SCHEMBL28846878 0.75 ALDH1A1 (0.35) ALDH1A1MAPTPOLBGAAKDM4E
SCHEMBL16637746 0.75 POLB (0.33) ALDH1A1MAPTPOLBGPR55GAA
SCHEMBL12470458 0.74 KDM4E (0.36) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL28823865 0.73 RAPGEF4 (0.38) ALDH1A1MAPTPOLBKDM4EL3MBTL1
SCHEMBL28029394 0.73 MAPT (0.41) ALDH1A1MAPTPOLBGAATHRB
SCHEMBL29288404 0.71 LMNA (0.35) ALDH1A1MAPTPOLBKDM4ETSHR
SCHEMBL9425246 0.70 MEP1B (0.38) ALDH1A1TSHRSMN1; SMN2

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-109641852-A Sulfonamides as GPR 40-and GPR 120-agonists 东佩制药股份公司 2019-04-16 CN disclosed