SCHEMBL11098613

SCHEMBL11098613

Cc1cc(=O)oc2c1ccc1oc(OC(=O)O)cc(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
HSD17B10 Q99714 6/20 0.50
MAPT P10636 5/20 0.50
MAPK1 P28482 4/20 0.50
GLA P06280 4/20 0.50
NFKB1 P19838 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 7/20 0.46

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
SCHEMBL11071937 0.88 KDM4E (0.51) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL11074157 0.85 KMT2A (0.57) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL11098611 0.80 KDM4E (0.56) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL11077944 0.77 KDM4E (0.52) KDM4EHSD17B10MAPTGLACYP1A2
SCHEMBL11071263 0.76 KDM4E (0.41) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL11081738 0.75 KDM4E (0.49) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL6036796 0.72 KDM4E (0.52) KDM4EHSD17B10MAPTMAPK1ALDH1A1
SCHEMBL11066772 0.71 LMNA (0.41) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL23657887 0.70 KDM4E (0.74) KDM4EHSD17B10MAPTMAPK1GLA
SCHEMBL1865302 0.70 KDM4E (0.66) KDM4EHSD17B10MAPTMAPK1ALDH1A1

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-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed