SCHEMBL760777

SCHEMBL760777

O=C(O)C1CC(O)C(O)C(O)CC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 3/20 0.64
KMT2A Q03164 3/20 0.64
CDK1 P06493 3/20 0.64
CCNB1 P14635 3/20 0.64
XDH P47989 3/20 0.64
GABRP O00591 2/20 0.64
GABRD O14764 2/20 0.64
KDM1A O60341 2/20 0.64
GAPDH P04406 2/20 0.64
CYP1A2 P05177 2/20 0.64
GABRA1 P14867 2/20 0.64
GABRB1 P18505 2/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
GABRA5 P31644 2/20 0.64
GABRA3 P34903 2/20 0.64
GABRA2 P47869 2/20 0.64

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
SCHEMBL19235587 0.85 SLCO2B1 (0.62) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19235976 0.83 SLCO2B1 (0.73) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19235612 0.83 SLCO2B1 (0.73) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL4649420 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL21869123 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL13853350 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL17915839 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL21335295 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL285082 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A
Baicalin SCHEMBL285081 0.78 ALDH1A1 (1.00) MEN1ALDH1A1MAPTHPGDKMT2A

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
US-8138165-B2 Chromones and chromone derivatives and uses thereof JENKEN BIOSCIENCES, INC. (US) 2012-03-20 US disclosed
US-8138165-B2 Chromones and chromone derivatives and uses thereof JENKEN BIOSCIENCES, INC. (US) 2012-03-20 US disclosed