SCHEMBL8075893

SCHEMBL8075893

COc1ccc(COC/C=C\COCc2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.61
AGXT P21549 2/20 0.61
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
APP P05067 7/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CALM1 P0DP23 1/20 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
SCHEMBL5795848 1.00 IDO1 (0.61) IDO1AGXTCA1CA2APP
SCHEMBL5795851 1.00 IDO1 (0.61) IDO1AGXTCA1CA2APP
SCHEMBL29302281 0.93 IDO1 (0.53) IDO1AGXTCA1CA2APP
SCHEMBL1030380 0.91 IDO1 (0.52) IDO1AGXTCA1CA2APP
SCHEMBL1030381 0.91 IDO1 (0.52) IDO1AGXTCA1CA2APP
SCHEMBL22468781 0.90 IDO1 (0.55) IDO1AGXTCA1CA2APP
SCHEMBL22468782 0.90 IDO1 (0.55) IDO1AGXTCA1CA2APP
SCHEMBL22485576 0.90 IDO1 (0.55) IDO1AGXTCA1CA2APP
SCHEMBL21835991 0.87 IDO1 (0.52) IDO1AGXTCA1CA2ALDH1A1
SCHEMBL21835990 0.87 IDO1 (0.52) IDO1AGXTCA1CA2ALDH1A1

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