SCHEMBL4468834

SCHEMBL4468834

COC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.57
PPARG P37231 16/20 0.57
PPARD Q03181 5/20 0.57
LDHA P00338 1/20 0.50
ACACB O00763 1/20 0.48

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
SCHEMBL4462336 1.00 PPARA (0.57) PPARAPPARGPPARDLDHAACACB
SCHEMBL4460117 0.86 ACACB (0.50) PPARAPPARGPPARDLDHAACACB
SCHEMBL4460251 0.85 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL4460245 0.85 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL4462278 0.83 LDHA (0.71) PPARAPPARGPPARDLDHA
SCHEMBL4462284 0.83 LDHA (0.71) PPARAPPARGPPARDLDHA
SCHEMBL4451913 0.81 PPARA (0.47) PPARAPPARGACACB
Hydrochloric Acid SCHEMBL2309162 0.81 PTPN1 (0.67) LDHAACACB
SCHEMBL4455664 0.81 ACACB (0.50) PPARAPPARGLDHAACACB
SCHEMBL27654978 0.81 PPARA (0.76) PPARAPPARGPPARDLDHA

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
US-20090029429-A1 Process for Producing Optically Active 2-Substituent-Oxy-3-(4-Substituent-Oxyphenyl) Propionic Acid Derivative KANEKA CORPORATION (JP) 2009-01-29 US disclosed
EP-1801224-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUENT-OXY-3-(4-SUBSTITUENT-OXYPHENYL)­PROPIONIC ACID DERIVATIVE Kaneka Corporation (JP) 2007-06-27 EP disclosed