SCHEMBL9521733

SCHEMBL9521733

CCC(=O)O[C@@H]1CC2=C(C(=O)c3c(cc4ccccc4c3OC(C)=O)C2=O)[C@H](O)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CTH P32929 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
TCF4 P15884 1/20 0.31

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
SCHEMBL9755801 0.86 KDM4E (0.34) KDM4ENPC1PKMRAB9ACTH
SCHEMBL8903221 0.83 NR1D1 (0.33) KDM4ENPC1PKMRAB9ACTH
SCHEMBL8903519 0.83 NR1D1 (0.33) KDM4ENPC1PKMRAB9ACTH
SCHEMBL9522381 0.83 KDM4E (0.34) KDM4ENPC1PKMRAB9AADORA3
SCHEMBL9755770 0.81 NQO1 (0.37) CTHTCF4CTNNB1AKT1
SCHEMBL8903531 0.80 NR1D1 (0.33) KDM4ENPC1PKMRAB9AADORA3
SCHEMBL8901727 0.78 KDM4E (0.34) KDM4ENPC1PKMRAB9AADORA3
SCHEMBL8902603 0.78 AKT1 (0.36) KDM4ENPC1PKMRAB9ACTH
SCHEMBL8903524 0.76 ADORA3 (0.33) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL8902823 0.76 IDO1 (0.39) KDM4ENPC1PKMRAB9ACTH

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 disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed