SCHEMBL6204574

SCHEMBL6204574

CCOC[C@H](Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)[S+]([O-])CC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.56
PPARA Q07869 14/20 0.56
FFAR1 O14842 1/20 0.56
KDR P35968 1/20 0.50
PPARD Q03181 2/20 0.47

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
SCHEMBL6201108 0.83 PPARG (0.60) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6203280 0.82 FFAR1 (0.58) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6201299 0.80 PPARG (0.59) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4025369 0.80 PPARG (0.56) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6204434 0.79 FFAR1 (0.59) PPARGPPARAFFAR1PPARD
SCHEMBL4028563 0.78 FFAR1 (0.60) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4032011 0.77 FFAR1 (0.70) PPARGPPARAFFAR1KDRPPARD
SCHEMBL6204703 0.77 PPARG (0.56) PPARGPPARAFFAR1PPARD
SCHEMBL4028338 0.77 PPARG (0.59) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4030299 0.77 FFAR1 (0.61) PPARGPPARAFFAR1KDRPPARD

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