SCHEMBL5131189

SCHEMBL5131189

O=C(O)CCC(=O)Nc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
CYP3A4 P08684 5/20 0.54
CYP2C9 P11712 5/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPT P10636 5/20 0.54
TP53 P04637 5/20 0.54
ALOX15 P16050 4/20 0.54
RECQL P46063 4/20 0.54
ALOX12 P18054 3/20 0.54
CDK2 P24941 3/20 0.54
MAPK1 P28482 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
ST6GAL1 P15907 1/20 0.54
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50

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
SCHEMBL12933882 0.91 KDM4E (0.51) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL5130682 0.89 KDM4E (0.60) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL5131156 0.88 NPSR1 (0.57) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL12933908 0.87 MAPT (0.56) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7652860 0.83 MEN1 (0.60) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7658406 0.83 KDM4E (0.62) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7664503 0.82 KDM4E (0.61) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7643991 0.80 MEN1 (0.58) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7652731 0.80 KDM4E (0.58) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7663171 0.80 MEN1 (0.55) KDM4EMEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863323-B1 Flavonols THE UNIVERSITY OF MELBOURNE (AU) 2011-01-04 US disclosed
US-7863323-B1 Flavonols THE UNIVERSITY OF MELBOURNE (AU) 2011-01-04 US disclosed
US-7863323-B1 Flavonols THE UNIVERSITY OF MELBOURNE (AU) 2011-01-04 US disclosed