SCHEMBL3266067

SCHEMBL3266067

COc1ccc(-c2ccc(/C(=C\CSc3ccc(O)c(C)c3)c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.55
MAPT P10636 7/20 0.37
KMT2A Q03164 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.34
MCL1 Q07820 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL3267255 0.91 PPARD (0.51) PPARDMAPTKMT2ARAB9ALMNA
SCHEMBL3270795 0.89 PPARD (0.43) PPARDMAPTKMT2ANPSR1LMNA
SCHEMBL3280960 0.89 PPARD (0.43) PPARDMAPTKMT2ANPSR1RAB9A
SCHEMBL3266065 0.88 PPARD (0.57) PPARDMAPTKMT2ANPSR1RAB9A
SCHEMBL658630 0.83 PPARD (0.83) PPARD
SCHEMBL658629 0.83 PPARD (0.83) PPARD
SCHEMBL3266552 0.82 PPARD (0.50) PPARDMAOBALPGL3MBTL1
SCHEMBL3267251 0.80 PPARD (0.52) PPARDMAPTKMT2ARAB9ALMNA
SCHEMBL3267254 0.80 PPARD (0.52) PPARDMAPTKMT2ARAB9ALMNA
SCHEMBL3280957 0.77 PPARD (0.44) PPARDMAPTKMT2ANPSR1RAB9A

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