SCHEMBL7987910

SCHEMBL7987910

COc1ccc(S(=O)(=O)Oc2ccc(CCOc3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
CYP2A6 P11509 1/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA7 P43166 1/20 0.43
GAA P10253 1/20 0.42
CA4 P22748 1/20 0.41
F2 P00734 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL7996839 0.87 CA12 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL2232493 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL2231514 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7987761 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7996910 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7987937 0.81 HPGD (0.63) HPGDNPC1RAB9A
SCHEMBL7987934 0.81 HPGD (0.63) HPGDNPC1RAB9A
SCHEMBL7987906 0.80 GAA (0.52) ALDH1A1SMN1; SMN2LMNACA12CA1
SCHEMBL7987746 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7987758 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAMAPTCA12

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