SCHEMBL3973263

SCHEMBL3973263

CC(=O)Oc1cccc(S(=O)(=O)O)c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
PTGS2 P35354 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 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
SCHEMBL29753992 0.84 PTGS2 (0.52) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL3018679 0.84 PTGS2 (0.52) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL3982461 0.83 CYP3A4 (0.43) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL8380237 0.82 PTGS2 (0.50) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL8380233 0.82 PTGS2 (0.50) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL2046110 0.82 ELANE (0.39) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL10499975 0.81 MAPK1 (0.42) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL19141078 0.81 TTR (0.50) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL5212814 0.81 MAPK1 (0.71) MAPK1KDM4EALDH1A1BLMTDP1
SCHEMBL10351036 0.77 MAPK1 (0.61) MAPK1KDM4EALDH1A1BLMTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056805-A1 USE OF 2, 5-DIHYDROXYBENZENE DERIVATIVES FOR THE TREATMENT OF TISSUE REACTIVE DISEASES Action Medicines, S.L. (ES) 2009-05-13 EP disclosed
WO-2008020042-A1 USE OF 2, 5-DIHYDROXYBENZENE DERIVATIVES FOR THE TREATMENT OF TISSUE REACTIVE DISEASES ACTION MEDICINES, S.L. (ES) 2008-02-21 WO disclosed