SCHEMBL3267255

SCHEMBL3267255

COc1cccc(-c2ccc(C(=CCSc3ccc(O)c(C)c3)c3ccc(Br)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.51
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B2 P37059 4/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HSD17B1 P14061 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAOB P27338 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL3266067 0.91 PPARD (0.55) PPARDALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL3267251 0.89 PPARD (0.52) PPARDALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL3267254 0.89 PPARD (0.52) PPARDALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL3266552 0.86 PPARD (0.50) PPARDL3MBTL1HSD17B2HSD17B1ALPL
SCHEMBL659368 0.85 PPARD (0.76) PPARD
SCHEMBL659367 0.85 PPARD (0.76) PPARD
SCHEMBL3280960 0.81 PPARD (0.43) PPARDALDH1A1L3MBTL1KMT2AHSD17B2
SCHEMBL3270795 0.81 PPARD (0.43) PPARDL3MBTL1LMNAKMT2AMAPT
SCHEMBL3266065 0.80 PPARD (0.57) PPARDALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL5959643 0.79 PPARD (0.67) PPARD

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