SCHEMBL28020193

SCHEMBL28020193

O=c1c2ccccc2oc2cc(O)cc(O)c12.[Eu]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.97
GAA P10253 3/20 0.97
SI P14410 3/20 0.97
MGAM2 Q2M2H8 3/20 0.97
ESR2 Q92731 2/20 0.73
MAOA P21397 10/20 0.69
FASN P49327 2/20 0.69
ATP1A1 P05023 2/20 0.66
ATP1B1 P05026 2/20 0.66
ATP1A3 P13637 2/20 0.66
ATP1B2 P14415 2/20 0.66
ATP1A2 P50993 2/20 0.66
ATP1B3 P54709 2/20 0.66
FXYD2 P54710 2/20 0.66
ATP1A4 Q13733 2/20 0.66
MMP1 P03956 1/20 0.64
PTPN1 P18031 1/20 0.64
ACE P12821 1/20 0.57
ESR1 P03372 1/20 0.57
MEN1 O00255 1/20 0.56

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
SCHEMBL2314333 0.98 MGAM (1.00) MGAMGAASIMGAM2ESR2
SCHEMBL30346407 0.98 MGAM (1.00) MGAMGAASIMGAM2ESR2
Dimethyl Sulfoxide SCHEMBL28246380 0.90 MGAM (0.83) MGAMGAASIMGAM2ESR2
SCHEMBL631900 0.84 MGAM (0.75) MGAMGAASIMGAM2ESR2
SCHEMBL7235669 0.84 ESR2 (1.00) MGAMGAASIMGAM2ESR2
SCHEMBL9835098 0.84 MGAM (0.74) MGAMGAASIMGAM2ESR2
SCHEMBL31193506 0.84 MGAM (0.74) MGAMGAASIMGAM2ESR2
SCHEMBL9838788 0.83 MAOA (0.79) MGAMGAASIMGAM2ESR2
SCHEMBL9837650 0.83 MGAM (0.72) MGAMGAASIMGAM2ESR2
SCHEMBL2315926 0.82 MGAM (1.00) MGAMGAASIMGAM2ESR2

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
CN-104725343-A Xanthone compound, as well as preparation method and application thereof GANSU TIANYUAN AGRICULTURAL SCIENCE AND TECHNOLOGY CO LTD 2015-06-24 CN disclosed