SCHEMBL7987906

SCHEMBL7987906

COc1ccc(S(=O)(=O)OCCc2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA4 P22748 1/20 0.45
PKM P14618 1/20 0.44
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 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
SCHEMBL6803332 0.88 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8000921 0.84 TDP1 (0.56) ALDH1A1SMN1; SMN2TDP1CA1CA2
SCHEMBL8710128 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8818892 0.82 TDP1 (0.68) GAAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7987910 0.80 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8780852 0.79 FKBP1A (0.53) ALDH1A1SMN1; SMN2HTT
SCHEMBL13649253 0.79 ENPP1 (0.52) ALDH1A1SMN1; SMN2LMNAHTTCA1
SCHEMBL2333789 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL25702737 0.77 PKM (0.53) GAAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL18289524 0.77 CA1 (0.50) GAAALDH1A1CA1CA2CA9

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