SCHEMBL5209231

SCHEMBL5209231

CCCc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.41
PPARA Q07869 16/20 0.41
FFAR1 O14842 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2515830 0.90 PPARG (0.42) PPARGPPARAFFAR1TP53MAPT
SCHEMBL2515827 0.90 PPARG (0.42) PPARGPPARAFFAR1TP53MAPT
SCHEMBL5206428 0.89 PPARG (0.41) PPARGPPARAFFAR1TP53MAPT
SCHEMBL5211033 0.89 HTT (0.42) PPARGPPARAFFAR1TP53MAPT
SCHEMBL5278398 0.86 PPARG (0.50) PPARGPPARAFFAR1TP53MAPT
SCHEMBL5206107 0.84 PPARG (0.44) PPARGPPARAFFAR1
SCHEMBL5310384 0.84 PPARG (0.48) PPARGPPARA
SCHEMBL5213073 0.82 PPARG (0.54) PPARGPPARA
SCHEMBL5213251 0.81 TP53 (0.49) PPARGPPARAFFAR1TP53MAPT
SCHEMBL2917013 0.79 TP53 (0.46) PPARGPPARAFFAR1TP53MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP claimed