SCHEMBL13625894

SCHEMBL13625894

CCCc1nc(C)n(Cc2ccc([S+](C)[O-])cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 8/20 0.57
PPARG P37231 8/20 0.55
AGTR1 P30556 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
SCHEMBL1891773 0.90 SLC33A1 (0.61) SLC33A1PPARGAGTR1
SCHEMBL1898089 0.88 SLC33A1 (0.58) SLC33A1PPARGAGTR1
SCHEMBL12993751 0.86 PPARG (0.66) SLC33A1PPARGAGTR1
SCHEMBL1887923 0.86 PPARG (0.68) PPARGAGTR1
SCHEMBL4011374 0.86 PPARG (0.63) SLC33A1PPARGAGTR1
SCHEMBL1893684 0.86 PPARG (0.68) PPARGAGTR1
Hydrochloric Acid SCHEMBL1895058 0.86 PPARG (0.68) PPARGAGTR1
Bromide SCHEMBL1895257 0.86 PPARG (0.68) PPARGAGTR1
SCHEMBL1890914 0.86 PPARG (0.68) PPARGAGTR1
SCHEMBL1886970 0.85 PPARG (0.62) SLC33A1PPARGAGTR1

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed