SCHEMBL6201250

SCHEMBL6201250

CCOCCO[C@@H](C)Cc1ccc(OCCc2nc(-c3ccc(SC)cc3)oc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.55
PPARA Q07869 13/20 0.54
PPARD Q03181 3/20 0.52

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
SCHEMBL6201076 0.90 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL4029871 0.85 MAPT (0.54) PPARGPPARAPPARD
SCHEMBL4029000 0.84 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6204788 0.84 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4029879 0.82 MAPT (0.51) PPARGPPARAPPARD
SCHEMBL6204434 0.82 FFAR1 (0.59) PPARGPPARAPPARD
SCHEMBL4029869 0.82 MAPT (0.51) PPARGPPARAPPARD
SCHEMBL4028998 0.81 MAPT (0.51) PPARGPPARAPPARD
SCHEMBL4029875 0.81 MAPT (0.48) PPARGPPARAPPARD
SCHEMBL6202684 0.80 PPARG (0.73) 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 4 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-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