SCHEMBL11077944

SCHEMBL11077944

Cc1cc(=O)oc2cc3oc(OC(=O)O)cc(=O)c3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.52
ALDH1A1 P00352 12/20 0.52
HPGD P15428 7/20 0.52
GLA P06280 6/20 0.52
GAA P10253 6/20 0.52
HSD17B10 Q99714 5/20 0.52
MAPT P10636 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
ALPG P10696 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOA P21397 3/20 0.49
MCL1 Q07820 4/20 0.49
AKR1B1 P15121 2/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL11072186 0.86 KDM4E (0.50) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11077939 0.78 KDM4E (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11098613 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6036796 0.75 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11066772 0.74 LMNA (0.41) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL11071978 0.72 GAA (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7455688 0.71 AKR1B1 (0.60) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL1865302 0.70 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1864108 0.70 KDM4E (0.58) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5220493 0.70 GABRP (0.52) MAPTCASP1SMN1; SMN2CYP3A4CA12

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