SCHEMBL7855014

SCHEMBL7855014

CCCOC(Cc1ccc(OCCN2c3ccccc3[S+]([O-])c3ccccc32)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.65
PPARA Q07869 17/20 0.63
PPARD Q03181 6/20 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
SCHEMBL7529597 0.92 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL7528027 0.88 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL7531944 0.86 PPARG (0.86) PPARGPPARAPPARD
SCHEMBL7532736 0.86 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL7527216 0.85 PPARA (0.86) PPARGPPARAPPARD
SCHEMBL7534296 0.84 PPARG (0.80) PPARGPPARAPPARD
SCHEMBL7530030 0.82 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL7527350 0.82 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL7535130 0.81 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL7528289 0.81 PPARG (0.69) 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-1123279-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP claimed
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO claimed