SCHEMBL4756299

SCHEMBL4756299

CCOC(=O)[C@H](Cc1ccc(OCCCOCc2ccccc2)cc1)OCC

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.63
PPARG P37231 15/20 0.63
PPARD Q03181 10/20 0.63
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4756258 0.94 PPARA (0.61) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL5386183 0.90 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL5386198 0.90 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL4758109 0.88 PPARA (0.75) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL5338861 0.88 PPARA (0.75) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL15811673 0.88 PPARA (0.75) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL5380615 0.87 PPARA (0.82) PPARAPPARGPPARD
Hydrochloric Acid SCHEMBL7212899 0.87 PPARA (0.73) PPARAPPARGPPARDLMNAL3MBTL1
Hydrochloric Acid SCHEMBL7212895 0.87 PPARA (0.73) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL4758161 0.86 PPARA (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed