SCHEMBL7214353

SCHEMBL7214353

Cc1ccc(NC(=O)CN(Cc2ccc(SC(C)(C)C)cc2)Cc2ccco2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.71
PPARG P37231 1/20 0.71
PPARD Q03181 1/20 0.71
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL6774701 0.92 PPARA (0.73) PPARAPPARGPPARDRAB9A
Hydrochloric Acid SCHEMBL6784678 0.91 PPARA (0.72) PPARAPPARGPPARDRAB9A
SCHEMBL6781039 0.89 PPARA (0.67) PPARAPPARGPPARDRAB9ANPC1
SCHEMBL6781092 0.89 PPARA (0.69) PPARAPPARGPPARDRAB9ANPC1
SCHEMBL6774636 0.87 PPARA (0.64) PPARAPPARGPPARDRAB9A
SCHEMBL6778785 0.85 PPARA (0.77) PPARAPPARGPPARDRAB9A
SCHEMBL6778683 0.85 PPARA (0.63) PPARAPPARGPPARDRAB9ANPSR1
SCHEMBL6778216 0.84 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL7212950 0.84 PPARA (0.71) PPARAPPARGPPARDRAB9A
SCHEMBL6781210 0.83 PPARA (1.00) PPARAPPARGPPARD

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-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO disclosed