SCHEMBL6656017

SCHEMBL6656017

CCCCCCCN(CCBr)c1ccc(CC(OCC)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.48
PPARG P37231 12/20 0.48
PPARD Q03181 8/20 0.46
CNR2 P34972 1/20 0.42

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
SCHEMBL1857951 0.90 CNR2 (0.39) PPARAPPARGPPARDCNR2
SCHEMBL12665325 0.84 CNR2 (0.39) CNR2
SCHEMBL4859318 0.79 PPARG (0.54) PPARAPPARG
SCHEMBL8953693 0.78 PPARA (0.43) PPARAPPARGCNR2
SCHEMBL7512149 0.76 CNR2 (0.47) CNR2
SCHEMBL8953687 0.76 CNR2 (0.47) CNR2
SCHEMBL4075902 0.74 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL4073447 0.74 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL4076673 0.74 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL3963033 0.73 PPARA (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436247-A1 NOVEL-BETA-PHENYL-ALPHA-OXYSUBSTITUTED PROPIONIC DERIVATIVES: PROCESS FOR ITS PREPARATION AND THEIR USE IN THE PREPARATION OF PHARMACEUTICALLY IMPORTANT COMPOUNDS Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP claimed
WO-2003033456-A1 NOVEL β-PHENYL-α-OXYSUBSTITUTED PROPIONIC DERIVATIVES: PROCESS FOR ITS PREPARATION AND THEIR USE IN THE PREPARATION OF PHARMACEUTICALLY IMPORTANT COMPOUNDS DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO claimed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO disclosed