SCHEMBL3266552

SCHEMBL3266552

Cc1cc(SC/C=C(\c2ccc(Br)cc2)c2ccc(-c3cccc(Cl)c3)cc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.50
ESR2 Q92731 1/20 0.50
ALOX5 P09917 1/20 0.39
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
GRM5 P41594 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
PTP4A3 O75365 1/20 0.33
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A7 Q99884 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL3266549 0.89 PPARD (0.52) PPARDESR2GRM5MMP2MMP9
SCHEMBL3267255 0.86 PPARD (0.51) PPARDHSD17B1HSD17B2ALPLALPG
SCHEMBL658722 0.83 PPARD (0.77) PPARD
SCHEMBL658721 0.83 PPARD (0.77) PPARD
SCHEMBL3266067 0.82 PPARD (0.55) PPARDALPGL3MBTL1MAOB
SCHEMBL3270795 0.78 PPARD (0.43) PPARDALPGL3MBTL1MAOBCYP1A2
SCHEMBL5959602 0.77 PPARD (0.68) PPARD
SCHEMBL657037 0.76 PPARD (0.66) PPARD
SCHEMBL657036 0.76 PPARD (0.66) PPARD
SCHEMBL3267251 0.75 PPARD (0.52) PPARDHSD17B1HSD17B2L3MBTL1

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-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP claimed