SCHEMBL7208021

SCHEMBL7208021

CS(=O)(=O)Oc1ccc(CCOc2[c]c(C#N)ccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.42
PPARG P37231 4/20 0.42
F2 P00734 3/20 0.35
PPARD Q03181 4/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL3901614 0.83 PPARA (0.50) PPARAPPARGF2PPARDCA12
SCHEMBL12442802 0.69 PPARA (0.57) PPARAPPARGF2PPARDCA12
SCHEMBL13156122 0.69 PPARA (0.57) PPARAPPARGF2PPARDCA12
SCHEMBL979920 0.68 PPARA (0.49) PPARAPPARGPPARDCA1CA2
SCHEMBL7772365 0.68 GABRG2 (0.36)
SCHEMBL3113325 0.68 NPC1 (0.58) PPARAPPARGPPARDCA12CA1
SCHEMBL7858920 0.68 PPARA (0.53) PPARAPPARGPPARDCA12CA1
SCHEMBL5729194 0.67 LSS (0.43) FFAR1FFAR4
SCHEMBL7861194 0.67 PTGS2 (0.41) PPARAPPARGF2CA12CA1
SCHEMBL6818000 0.67 PPARA (0.60) PPARAPPARGPPARDFFAR1

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
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed