SCHEMBL12442802

SCHEMBL12442802

Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.57
PPARG P37231 2/20 0.57
KCNH2 Q12809 1/20 0.50
PPARD Q03181 3/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
F2 P00734 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL13156122 1.00 PPARA (0.57) PPARAPPARGKCNH2PPARDMAOA
SCHEMBL3113325 0.86 NPC1 (0.58) PPARAPPARGKCNH2PPARDMAOB
SCHEMBL14173881 0.84 KCNH2 (0.65) PPARAKCNH2PPARDMAOAMAOB
SCHEMBL14376420 0.83 PPARA (0.64) PPARAPPARGPPARDCA1CA2
SCHEMBL7987761 0.83 ALDH1A1 (0.55) PPARAPPARGKCNH2PPARDCA1
Hydrochloric Acid SCHEMBL27900832 0.82 KCNH2 (0.62) PPARAKCNH2PPARDMAOAMAOB
SCHEMBL7987772 0.82 PPARA (0.56) PPARAPPARGKCNH2PPARDCA1
SCHEMBL7987719 0.82 PPARA (0.59) PPARAPPARGPPARDMAOAMAOB
SCHEMBL7155846 0.82 FFAR1 (0.68) PPARAPPARGPPARDL3MBTL1FFAR1
SCHEMBL7987736 0.81 PPARA (0.58) PPARAPPARGPPARDMAOBCA1

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-2011098801-A1 INFLAMMATORY DISEASE TREATMENT PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-08-18 WO disclosed