SCHEMBL8531103

SCHEMBL8531103

CC1=C2C(=O)c3cccc(O)c3C(=O)C2CC(C(=O)C2CC3=C(C(=O)c4cccc(O)c4C3=O)C(C)O2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PAX8 Q06710 1/20 0.48
TDP2 O95551 1/20 0.46
AKT1 P31749 5/20 0.43
TCF4 P15884 1/20 0.37
CTNNB1 P35222 1/20 0.37
CTH P32929 1/20 0.36
STAT3 P40763 2/20 0.35
IDO1 P14902 1/20 0.34
MAOA P21397 4/20 0.33
MAOB P27338 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8531494 0.93 DNMT3B (0.53) DNMT3BHSP90AA1PAX8TDP2AKT1
SCHEMBL1450338 0.66 MAOA (0.46) DNMT3BHSP90AA1PAX8TDP2AKT1
Nanaomycin SCHEMBL20473784 0.66 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8TDP2AKT1
Nanaomycin SCHEMBL30778402 0.66 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8TDP2AKT1
Nanaomycin SCHEMBL30861963 0.66 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8TDP2AKT1
Nanaomycin SCHEMBL18567076 0.66 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8TDP2AKT1
Nanafrocin SCHEMBL2111571 0.66 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8TDP2AKT1
SCHEMBL8899879 0.66 AKT1 (0.33) DNMT3BHSP90AA1PAX8AKT1
SCHEMBL30193239 0.65 DNMT3B (0.82) DNMT3BHSP90AA1PAX8TDP2AKT1
SCHEMBL396216 0.64 TDP2 (1.00) DNMT3BHSP90AA1PAX8TDP2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US claimed
US-5736523-A ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER BIOCHEM PHARMA INC. (CA) 1998-04-07 US disclosed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US disclosed
EP-0659190-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC (CA) 1995-06-28 EP disclosed
WO-1994011382-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC. (CA) 1994-05-26 WO disclosed