SCHEMBL11283159

SCHEMBL11283159

O=C(Oc1cccc(CC(CO)C(CO)Cc2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 3/20 0.44
NR4A2 P43354 1/20 0.42
PARP10 Q53GL7 1/20 0.42
NSD2 O96028 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18324277 0.83 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL27628085 0.81 CYP4F2 (0.58) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL27773271 0.80 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL29995417 0.80 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL9511333 0.80 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL4216005 0.79 KMT2A (0.54) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL27447227 0.79 LOXL2 (0.55) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL28944513 0.79 KMT2A (0.54) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL1785471 0.78 KMT2A (0.69) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL10799936 0.78 GPR132 (0.63)

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-0043150-A1 Pharmaceutical 2,3 -bis-hydroxybenzyl butane derivatives AKZO N.V. (NL) 1982-01-06 EP disclosed