SCHEMBL8000896

SCHEMBL8000896

CS(=O)(=O)OCCc1ccc(OS(C)(=O)=O)cc1OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
CA2 P00918 4/20 0.35
CA5A P35218 2/20 0.35
PPARA Q07869 2/20 0.34
MMP9 P14780 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP14 P50281 1/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL7998391 0.79 ALDH1A1 (0.43) KDM4EALDH1A1GAAHPGDPPARA
SCHEMBL3171854 0.79 TAAR1 (0.41) KDM4EALDH1A1CA2CA5AMMP9
SCHEMBL2058113 0.75 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDALPL
SCHEMBL31312886 0.75 HSD17B10 (0.46) KDM4EALDH1A1HPGDCA5APPARA
SCHEMBL979920 0.75 PPARA (0.49) KDM4EALDH1A1GAACA2PPARA
SCHEMBL9211789 0.75 KDM4E (0.41) KDM4EALDH1A1GAAHPGDALPL
SCHEMBL6435463 0.74 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDALPL
SCHEMBL8000451 0.73 FAAH (0.42) ALDH1A1CA2PPARAPPARG
SCHEMBL3653665 0.72 POLB (0.41)
SCHEMBL4859830 0.72 APLNR (0.46) KDM4EALDH1A1CA2MMP9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed