SCHEMBL3266065

SCHEMBL3266065

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.57
MAPT P10636 9/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MCL1 Q07820 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL3267251 0.91 PPARD (0.52) PPARDMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL3267254 0.91 PPARD (0.52) PPARDMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL3280957 0.89 PPARD (0.44) PPARDMAPTALDH1A1HPGDPOLB
SCHEMBL3270793 0.89 PPARD (0.44) PPARDMAPTALDH1A1HPGDTP53
SCHEMBL3270787 0.89 PPARD (0.44) PPARDMAPTALDH1A1HPGDTP53
SCHEMBL3266067 0.88 PPARD (0.55) PPARDMAPTALDH1A1HPGDTP53
SCHEMBL658629 0.84 PPARD (0.83) PPARD
SCHEMBL658630 0.84 PPARD (0.83) PPARD
SCHEMBL3266549 0.82 PPARD (0.52) PPARDMAPTTP53KMT2ARAB9A
SCHEMBL3267255 0.80 PPARD (0.51) PPARDMAPTALDH1A1SMN1; SMN2KMT2A

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