SCHEMBL1490951

SCHEMBL1490951

C=CC(=O)C=C(c1cc(OC)ccc1OC)c1cc(OC)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
POLB P06746 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
TUBB1 Q9H4B7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1490631 0.84 NPC1 (0.47) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL6350154 0.83 ABCG2 (0.67) MAPTHTTNPSR1ABCG2ALDH1A1
SCHEMBL6257711 0.79 CA12 (0.53) MAPTHTTABCG2ALDH1A1RAB9A
SCHEMBL16952190 0.77 MAPT (0.53) MAPTHTTNPSR1ABCG2ALDH1A1
SCHEMBL1490910 0.77 CES2 (0.52) MAPTALDH1A1KDM4ERAB9A
SCHEMBL1759671 0.76 MAPT (0.66) MAPTHTTNPSR1ABCG2ALDH1A1
SCHEMBL12228747 0.76 MAPT (0.82) MAPTHTTNPSR1ABCG2ALDH1A1
SCHEMBL16062219 0.76 PIN1 (0.39) MAPTHTTALDH1A1POLBMEN1
SCHEMBL31167603 0.75 ABCG2 (0.79) MAPTHTTNPSR1ABCG2ALDH1A1
SCHEMBL28556103 0.75 MAPT (0.64) MAPTHTTNPSR1ABCG2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed