SCHEMBL6533008

SCHEMBL6533008

CCOC(Cc1ccc(C#CCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.67
PPARG P37231 13/20 0.67
PPARD Q03181 9/20 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
SCHEMBL6532464 0.82 PPARA (0.54) PPARAPPARGPPARD
Ragaglitazar SCHEMBL682732 0.80 PPARA (1.00) PPARAPPARGPPARD
Ragaglitazar SCHEMBL4822459 0.80 PPARA (1.00) PPARAPPARGPPARD
Ragaglitazar SCHEMBL29369224 0.80 PPARA (1.00) PPARAPPARGPPARD
Ragaglitazar SCHEMBL676872 0.80 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL6529670 0.78 PPARG (0.48) PPARAPPARG
Ragaglitazar SCHEMBL6283531 0.77 PPARG (0.91) PPARAPPARGPPARD
Ragaglitazar SCHEMBL6281839 0.76 PPARG (0.89) PPARAPPARGPPARD
Ragaglitazar SCHEMBL6283288 0.76 PPARG (0.89) PPARAPPARGPPARD
SCHEMBL7586382 0.75 PPARA (0.67) 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
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed