SCHEMBL9520730

SCHEMBL9520730

O=COC1CC2=C(C(=O)c3cc4ccccc4cc3C2=O)C(O)O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.32
CTNNB1 P35222 1/20 0.32
CTH P32929 1/20 0.31
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9520944 0.85 TCF4 (0.41) TCF4CTNNB1CTHIDO1
SCHEMBL9522381 0.80 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL9755801 0.80 KDM4E (0.34) TCF4CTNNB1CTHIDO1KDM4E
SCHEMBL8533356 0.73 TCF4 (0.38) TCF4CTNNB1CTHIDO1KDM4E
SCHEMBL9521432 0.71
SCHEMBL9755771 0.70 BACE1 (0.32) IDO1
SCHEMBL9521049 0.66 NQO1 (0.39)
SCHEMBL8899885 0.65 AKT1 (0.40) TCF4CTNNB1CTHIDO1
SCHEMBL10992756 0.60 BACE1 (0.36) IDO1
SCHEMBL10863131 0.60 BACE1 (0.36) IDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP claimed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO claimed
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed