SCHEMBL5690235

SCHEMBL5690235

CS(=O)(=O)Oc1ccc(OCCc2ccc(C[C@@H](C(=O)O)[S+]([O-])CCc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.58
PPARG P37231 8/20 0.58
FFAR1 O14842 2/20 0.41
PPARD Q03181 3/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5690000 1.00 PPARA (0.58) PPARAPPARGFFAR1PPARDCA12
SCHEMBL5689756 1.00 PPARA (0.58) PPARAPPARGFFAR1PPARDCA12
SCHEMBL6092773 0.90 PPARA (0.51) PPARAPPARGFFAR1PPARD
SCHEMBL6092981 0.90 PPARA (0.51) PPARAPPARGFFAR1PPARD
SCHEMBL6092983 0.83 PPARA (0.50) PPARAPPARGFFAR1PPARDCA12
SCHEMBL6092777 0.83 PPARA (0.50) PPARAPPARGFFAR1PPARDCA12
SCHEMBL3100628 0.82 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL3946198 0.82 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL3100619 0.82 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL5474463 0.81 PPARA (0.70) PPARAPPARGFFAR1PPARD

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-1638927-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed