SCHEMBL13655824

SCHEMBL13655824

CCOC(C=O)Cc1ccc(NCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 4/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
FFAR1 O14842 2/20 0.38
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13655922 0.89 PPARA (0.47) PPARGPPARAMAPT
SCHEMBL13655828 0.89 PPARA (0.47) PPARGPPARAMAPT
SCHEMBL13655817 0.87 PPARG (0.48) PPARGPPARACA12CA1CA2
SCHEMBL14548458 0.81 SLC2A1 (0.42) PPARGPPARACA12CA1CA2
SCHEMBL4076566 0.81 PPARA (0.67) PPARGPPARA
SCHEMBL13762777 0.80 PPARA (0.67) PPARGPPARACA12CA1CA2
SCHEMBL4075620 0.80 PPARG (0.55) PPARGPPARACA12CA1CA2
SCHEMBL13655821 0.79 MTNR1A (0.38) PPARGPPARAFFAR1
SCHEMBL14548512 0.79 SLC2A1 (0.39) PPARGPPARACA12CA1CA2
SCHEMBL13655826 0.78 PPARG (0.48) PPARGPPARACA12CA1CA2

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
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed