SCHEMBL7996977

SCHEMBL7996977

CS(=O)(=O)Oc1cccc(CCOc2ccc(C=O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
RAB9A P51151 2/20 0.40
FFAR1 O14842 1/20 0.40
CYP2D6 P10635 1/20 0.40
F2 P00734 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL9854763 0.85 PPARG (0.46) PPARGPPARACA12CA1CA7
SCHEMBL7987761 0.85 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL7987897 0.80 HPGD (0.67) HPGDMAOAMAOB
SCHEMBL7987900 0.80 HPGD (0.67) HPGDMAOAMAOB
SCHEMBL7998391 0.80 ALDH1A1 (0.43) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL8000471 0.79 ALDH1A1 (0.52) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL8000451 0.78 FAAH (0.42) ALDH1A1PPARGPPARACA1CA9
SCHEMBL29051176 0.77 CA12 (0.53) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL12578130 0.77 MAOB (0.56) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL1299974 0.76 RAB9A (0.61) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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