SCHEMBL6552204

SCHEMBL6552204

CCCCCCCN(CCc1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.81
PPARA Q07869 4/20 0.81
PPARD Q03181 2/20 0.81
SOAT1 P35610 1/20 0.58

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
SCHEMBL6356266 0.91 PPARG (0.68) PPARGPPARAPPARDSOAT1
Gsk-9578 SCHEMBL30475595 0.90 PPARG (1.00) PPARGPPARAPPARDSOAT1
SCHEMBL20280514 0.90 PPARG (1.00) PPARGPPARAPPARDSOAT1
Gsk-9578 SCHEMBL68327 0.90 PPARG (1.00) PPARGPPARAPPARDSOAT1
SCHEMBL16521916 0.90 PPARG (0.87) PPARGPPARAPPARDSOAT1
SCHEMBL17471275 0.89 PPARG (0.85) PPARGPPARAPPARDSOAT1
SCHEMBL2415650 0.83 PPARG (0.57) PPARGPPARAPPARDSOAT1
SCHEMBL28023966 0.81 PPARG (0.72) PPARGPPARAPPARDSOAT1
SCHEMBL6356255 0.81 PPARG (0.82) PPARGPPARAPPARDSOAT1
SCHEMBL6545314 0.81 PPARG (0.82) PPARGPPARAPPARDSOAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149063-B1 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1149063-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2001-10-31 EP disclosed
US-6306854-B1 ARYLTHIOALKYLACIDS AND ALKYL UREAS GLAXOSMITHKLINE 2001-10-23 US disclosed
WO-2000023407-A2 UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS GLAXO GROUP LIMITED (GB) 2000-04-27 WO disclosed