SCHEMBL4031426

SCHEMBL4031426

CCOC(C)C(O)CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.62
PPARA Q07869 16/20 0.62
PPARD Q03181 8/20 0.62

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
SCHEMBL6201647 0.91 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4516225 0.91 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4027816 0.91 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4026882 0.90 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4028928 0.88 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4031987 0.87 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL4027230 0.87 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL4034827 0.86 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL4026864 0.85 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4027390 0.85 PPARG (0.57) 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 5 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 claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
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