SCHEMBL6557240

SCHEMBL6557240

CCOC(Cc1ccc(OCCN)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.72
PPARG P37231 14/20 0.70
PPARD Q03181 8/20 0.70

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
SCHEMBL27674855 0.91 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL27654986 0.90 PPARA (0.85) PPARAPPARGPPARD
SCHEMBL11932217 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL5978209 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL4755515 0.87 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL6388507 0.87 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL4758133 0.87 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL4338075 0.86 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL5074787 0.86 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL6152282 0.86 PPARA (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP disclosed
EP-1073643-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-02-07 EP disclosed
WO-1999008501-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-25 WO disclosed