SCHEMBL9520944

SCHEMBL9520944

CC1OC(OC=O)CC2=C1C(=O)c1cc3ccccc3cc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.41
CTNNB1 P35222 1/20 0.41
IDO1 P14902 2/20 0.40
CTH P32929 1/20 0.38
DNMT3B Q9UBC3 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PAX8 Q06710 1/20 0.37
AKT1 P31749 1/20 0.37
DHODH Q02127 1/20 0.32
TDP2 O95551 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
SCHEMBL9520730 0.85 TCF4 (0.32) TCF4CTNNB1IDO1CTH
SCHEMBL8533356 0.76 TCF4 (0.38) TCF4CTNNB1IDO1CTHDNMT3B
SCHEMBL9755801 0.69 KDM4E (0.34) TCF4CTNNB1IDO1CTHDNMT3B
SCHEMBL9521049 0.64 NQO1 (0.39)
SCHEMBL8911771 0.60 MEN1 (0.33) DHODH
SCHEMBL9755771 0.59 BACE1 (0.32) IDO1AKT1DHODH
SCHEMBL3981018 0.59 LMNA (0.43)
SCHEMBL29941346 0.59 LMNA (0.43)
SCHEMBL29364188 0.59 MEN1 (0.56) TDP2
SCHEMBL354514 0.59 MEN1 (0.56) TDP2

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
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