SCHEMBL2879152

SCHEMBL2879152

COc1cccc(C2(O)Oc3ccccc3C(=O)C2(O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PDK2 Q15119 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2679213 0.83 ALDH1A1 (0.39) CA1CA2CA7CA9PDK2
SCHEMBL7049756 0.78 ALDH1A1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL5505263 0.74 MAPT (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL31086937 0.74 MAPT (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL727643 0.70 MAPT (0.40) CA1CA2CA7CA9KMT2A
SCHEMBL28921922 0.70 CA1 (0.44) CA1CA2CA7CA9PDK2
Flavanone SCHEMBL3438655 0.70 MAOB (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4824717 0.69 TP53 (0.52) CA1CA2CA7CA9PDK2
SCHEMBL1118992 0.66 CA1 (0.38) CA1CA2CA7CA9KMT2A
SCHEMBL6239972 0.66 CYP19A1 (0.42) CA1CA2CA7CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784201-B1 PHYSIOLOGICALLY ACTIVE COMPOSITION AGAINST DIABETES PHYTOMEDICS INC (US) 2010-10-20 EP disclosed
US-20090142425-A1 Physiologically active composition PHYTOMEDICS INCORPORATED 2009-06-04 US disclosed
EP-1784201-A2 PHYSIOLOGICALLY ACTIVE COMPOSITION Cargill, Incorporated (US) 2007-05-16 EP disclosed
WO-2006010560-A2 PHYSIOLOGICALLY ACTIVE COMPOSITION CARGILL, INCORPORATED (US) 2006-02-02 WO disclosed