SCHEMBL6204434

SCHEMBL6204434

CCOCCO[C@@H](C)Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
PPARG P37231 19/20 0.59
PPARA Q07869 14/20 0.59
PPARD Q03181 3/20 0.54

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 0.92 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6204788 0.86 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4030299 0.84 FFAR1 (0.61) FFAR1PPARGPPARAPPARD
SCHEMBL4030770 0.84 FFAR1 (0.64) FFAR1PPARGPPARAPPARD
SCHEMBL6204703 0.83 PPARG (0.56) FFAR1PPARGPPARAPPARD
SCHEMBL6201299 0.83 PPARG (0.59) FFAR1PPARGPPARAPPARD
SCHEMBL6203280 0.83 FFAR1 (0.58) FFAR1PPARGPPARAPPARD
SCHEMBL6201108 0.82 PPARG (0.60) FFAR1PPARGPPARAPPARD
SCHEMBL6201250 0.82 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4026010 0.82 FFAR1 (0.64) FFAR1PPARGPPARAPPARD

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