SCHEMBL996808

SCHEMBL996808

COc1cc(/C=C/C(=O)c2cc3c(cc2OCCN2CCOCC2)OCO3)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
HIF1AN Q9NWT6 4/20 0.51
KEAP1 Q14145 4/20 0.50
NFE2L2 Q16236 4/20 0.50
TNFRSF1A P19438 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.47
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46
SYK P43405 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL996811 1.00 KDM4E (0.56) KDM4EALDH1A1HPGDHIF1ANKEAP1
SCHEMBL995795 0.93 TNFRSF1A (0.52) KDM4EALDH1A1HPGDHIF1ANTNFRSF1A
SCHEMBL995798 0.93 TNFRSF1A (0.52) KDM4EALDH1A1HPGDHIF1ANTNFRSF1A
SCHEMBL996370 0.92 ACHE (0.52) KDM4EALDH1A1HPGDHIF1ANTNFRSF1A
SCHEMBL996372 0.92 ACHE (0.52) KDM4EALDH1A1HPGDHIF1ANTNFRSF1A
SCHEMBL998259 0.88 KEAP1 (0.59) KDM4EALDH1A1HIF1ANKEAP1NFE2L2
SCHEMBL998257 0.88 KEAP1 (0.59) KDM4EALDH1A1HIF1ANKEAP1NFE2L2
SCHEMBL997045 0.87 TUBB4A (0.57) KDM4EALDH1A1HPGDHIF1ANKEAP1
SCHEMBL997043 0.87 TUBB4A (0.57) KDM4EALDH1A1HPGDHIF1ANKEAP1
SCHEMBL997737 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDHIF1ANKEAP1

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