SCHEMBL9796338

SCHEMBL9796338

CC(C)NS(=O)(=O)c1ccc(C(=O)O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
PTPN11 Q06124 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 4/20 0.46
MCL1 Q07820 4/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9796022 0.83 ADAMTS4 (0.49) NPSR1PTPN11KDM4EALDH1A1PTPN1
SCHEMBL3756242 0.83 ALDH1A1 (0.55) NPSR1PTPN11KDM4EALDH1A1TSHR
SCHEMBL3714577 0.83 NPSR1 (0.51) NPSR1PTPN11KDM4EALDH1A1GFER
SCHEMBL3764291 0.83 NPSR1 (0.50) NPSR1PTPN11KDM4EALDH1A1PTPN1
SCHEMBL3764440 0.81 NPSR1 (0.46) NPSR1PTPN11KDM4EALDH1A1GFER
SCHEMBL3923738 0.80 LMNA (0.62) NPSR1KDM4EALDH1A1TSHRMEN1
SCHEMBL10984175 0.80 NPSR1 (0.48) NPSR1PTPN11KDM4EALDH1A1MCL1
SCHEMBL13543499 0.80 CYP3A4 (0.52) NPSR1PTPN11KDM4EALDH1A1HSD17B10
SCHEMBL1042597 0.76 LMNA (0.61) KDM4EALDH1A1MCL1HSD17B10HPGD
SCHEMBL1593800 0.76 ALDH1A1 (0.72) KDM4EALDH1A1MCL1HSD17B10HPGD

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
US-4990523-A Treatment of chronic inflammatory joint disease with arylsulfonamides A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 US disclosed