SCHEMBL6205838

SCHEMBL6205838

CCOC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)SCC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.61
PPARA Q07869 13/20 0.60
PPARD Q03181 3/20 0.60

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
SCHEMBL13633933 0.85 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL6201076 0.83 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6247050 0.83 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4029473 0.81 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL4025380 0.80 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4032006 0.80 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL7897394 0.80 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL4030874 0.80 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL4025385 0.80 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5098728 0.80 PPARG (0.76) PPARGPPARAPPARD

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
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO disclosed