SCHEMBL8034668

SCHEMBL8034668

COc1cc2c(c(Cl)c1O)Oc1c(cc(OC)c(O)c1Cl)C21OC(=O)c2c(Cl)ccc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
THRB P10828 3/20 0.45
RECQL P46063 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
BLM P54132 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
HIF1A Q16665 1/20 0.45
GLB1 P16278 1/20 0.45
CTRC Q99895 1/20 0.45
SMAD3 P84022 1/20 0.45
MAOB P27338 3/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL347626 0.86 THRB (0.50) TDP1THRBRECQLMEN1KMT2A
SCHEMBL8359568 0.84 TDP1 (0.43) TDP1THRBRECQLMEN1KMT2A
SCHEMBL229962 0.84 ALDH1A1 (0.43) TDP1THRBRECQLMEN1KMT2A
SCHEMBL154596 0.81 MEN1 (0.40) TDP1THRBRECQLMEN1KMT2A
SCHEMBL122505 0.79 MEN1 (0.55) TDP1THRBRECQLMEN1KMT2A
SCHEMBL31105807 0.79 MEN1 (0.55) TDP1THRBRECQLMEN1KMT2A
SCHEMBL17713858 0.78 SMAD3 (0.46) TDP1THRBRECQLMEN1KMT2A
SCHEMBL12836277 0.77 THRB (0.36) TDP1THRBRECQLMEN1KMT2A
SCHEMBL20353144 0.76 PRMT1 (0.44) TDP1THRBRECQLMEN1KMT2A
SCHEMBL20469909 0.76 TDP1 (0.39) TDP1THRBRECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550646-B1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) PERKIN ELMER CORP (US) 2000-04-05 EP claimed
EP-0550646-A4 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS (US) 1994-05-25 EP claimed
EP-0550646-A1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) THE PERKIN-ELMER CORPORATION (US) 1993-07-14 EP claimed
US-5187085-A NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-O-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS, INC. (US) 1993-02-16 US claimed
WO-1992006219-A1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS, INC. (US) 1992-04-16 WO claimed
EP-0550646-B1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) PERKIN ELMER CORP (US) 2000-04-05 EP disclosed
EP-0550646-A4 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS (US) 1994-05-25 EP disclosed
EP-0550646-A1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) THE PERKIN-ELMER CORPORATION (US) 1993-07-14 EP disclosed
US-5187085-A NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-O-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS, INC. (US) 1993-02-16 US disclosed
WO-1992006219-A1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS, INC. (US) 1992-04-16 WO disclosed