SCHEMBL995798

SCHEMBL995798

COc1cc(C=CC(=O)c2cc3c(cc2OCCN2CCCC2)OCO3)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.52
ACHE P22303 5/20 0.51
MAOB P27338 3/20 0.51
HIF1AN Q9NWT6 5/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
BCHE P06276 2/20 0.47

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
SCHEMBL995795 1.00 TNFRSF1A (0.52) TNFRSF1AACHEMAOBHIF1ANABCG2
SCHEMBL996370 0.99 ACHE (0.52) TNFRSF1AACHEMAOBHIF1ANABCG2
SCHEMBL996372 0.99 ACHE (0.52) TNFRSF1AACHEMAOBHIF1ANABCG2
SCHEMBL996811 0.93 KDM4E (0.56) TNFRSF1AHIF1ANABCG2KDM4EALDH1A1
SCHEMBL996808 0.93 KDM4E (0.56) TNFRSF1AHIF1ANABCG2KDM4EALDH1A1
SCHEMBL997108 0.88 MAPT (0.60) ACHEMAOBHIF1ANABCG2KDM4E
SCHEMBL997110 0.88 MAPT (0.60) ACHEMAOBHIF1ANABCG2KDM4E
SCHEMBL998730 0.87 MAPT (0.59) MAOBHIF1ANABCG2KDM4EALDH1A1
SCHEMBL998727 0.87 MAPT (0.59) MAOBHIF1ANABCG2KDM4EALDH1A1
SCHEMBL996379 0.85 HIF1AN (0.53) ACHEMAOBHIF1ANABCG2ALDH1A1

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
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO claimed
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed