SCHEMBL8082823

SCHEMBL8082823

COc1ccc(COCC(O)C(O)COCc2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
APP P05067 7/20 0.47
CALM1 P0DP23 1/20 0.47
TBXAS1 P24557 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
LDHA P00338 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL24634748 0.89 CA1 (0.70) CA1CA2IDO1AGXTAPP
SCHEMBL6101489 0.88 CA1 (0.60) CA1CA2IDO1AGXTAPP
SCHEMBL28438746 0.88 CA1 (0.60) CA1CA2IDO1AGXTAPP
SCHEMBL12859364 0.87 CA1 (0.56) CA1CA2IDO1AGXTAPP
SCHEMBL15831104 0.87 CA1 (0.68) CA1CA2IDO1AGXTAPP
SCHEMBL19660911 0.87 CA1 (0.59) CA1CA2IDO1AGXTAPP
SCHEMBL22602252 0.85 L3MBTL1 (0.55) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL31506240 0.84 CA1 (0.69) CA1CA2IDO1AGXTAPP
SCHEMBL31506185 0.84 CA1 (0.69) CA1CA2IDO1AGXTAPP
SCHEMBL26985990 0.84 CA1 (0.69) CA1CA2IDO1AGXTAPP

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
WO-2009030733-A1 METHOD FOR THE SYNTHESIS OF 4-ALKOXY-, 4-HYDROXY- AND 4-ARYLOXY-SUBSTITUTED TETRAHYDRO-FURO[3,4-B]FURAN-2(3H)-ONE COMPOUNDS DSM IP ASSETS B.V. (NL) 2009-03-12 WO disclosed