SCHEMBL5206428

SCHEMBL5206428

Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(=O)O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.41
PPARA Q07869 11/20 0.41
FFAR1 O14842 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5310384 0.93 PPARG (0.48) PPARGPPARA
SCHEMBL5211033 0.91 HTT (0.42) PPARGPPARAFFAR1MAPTTP53
SCHEMBL2522398 0.89 PPARG (0.42) PPARGPPARAFFAR1MAPTTP53
SCHEMBL2522393 0.89 PPARG (0.42) PPARGPPARAFFAR1MAPTTP53
SCHEMBL5209231 0.89 PPARG (0.41) PPARGPPARAFFAR1MAPTTP53
SCHEMBL5278398 0.88 PPARG (0.50) PPARGPPARAFFAR1MAPTTP53
SCHEMBL5210918 0.83 PPARG (0.43) PPARGPPARAFFAR1ALDH1A1LMNA
SCHEMBL2518462 0.83 PPARG (0.49) PPARGPPARA
SCHEMBL2518456 0.83 PPARG (0.49) PPARGPPARA
SCHEMBL5213251 0.83 TP53 (0.49) PPARGPPARAFFAR1MAPTTP53

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