SCHEMBL14366183

SCHEMBL14366183

O=C(O)c1ccccc1OCCCCN(CCOc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.57
PPARG P37231 15/20 0.57
PPARD Q03181 15/20 0.57
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL14366174 0.97 PPARA (0.58) PPARAPPARGPPARDALDH1A1
SCHEMBL14366184 0.97 PPARA (0.58) PPARAPPARGPPARDALDH1A1
SCHEMBL14366175 0.95 PPARA (0.60) PPARAPPARGPPARDALDH1A1
SCHEMBL5271988 0.89 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL5276379 0.89 PPARG (0.57) PPARAPPARGPPARD
SCHEMBL5579706 0.89 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5277585 0.89 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5276156 0.88 PPARG (0.58) PPARAPPARGPPARDALDH1A1
SCHEMBL5274279 0.87 PPARG (0.49) PPARAPPARGPPARD
SCHEMBL5274267 0.86 PPARA (0.58) 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
US-7301033-B2 PPAR-activating compound KOWA CO., LTD. (JP) 2007-11-27 US disclosed
US-7301033-B2 PPAR-activating compound KOWA CO., LTD. (JP) 2007-11-27 US disclosed