SCHEMBL13704191

SCHEMBL13704191

COc1ccc(/C=C/C(=O)Oc2ccc(CO)cc2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 2/20 0.68
NFE2L2 Q16236 1/20 0.61
HPGD P15428 2/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
FDPS P14324 2/20 0.58
TNFRSF1A P19438 1/20 0.58
MAPT P10636 2/20 0.57
TTR P02766 1/20 0.57
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ABCG2 Q9UNQ0 3/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL28033690 0.90 EPHX2 (0.67) KDM4EKMT2AALDH1A1NFE2L2HPGD
SCHEMBL13704187 0.90 KDM4E (0.65) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL13704189 0.86 KMT2A (0.71) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL4326745 0.85 KDM4E (0.60) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL13704428 0.85 KDM4E (0.60) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL12221841 0.85 KDM4E (0.78) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL13704177 0.85 HTR1A (0.74) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL2997672 0.83 KDM4E (0.58) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL2997666 0.83 KDM4E (0.58) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL26932284 0.82 JUN (0.62) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD

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
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed