SCHEMBL8533356

SCHEMBL8533356

COC1OC(OC=O)CC2=C1C(=O)c1ccccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
AKT1 P31749 6/20 0.36
IDO1 P14902 5/20 0.35
CTH P32929 1/20 0.35
CDC25A P30304 2/20 0.33
CDC25B P30305 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAP2K7 O14733 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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 0.76 TCF4 (0.41) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL8528678 0.75
SCHEMBL8900228 0.75 TCF4 (0.39) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL8587198 0.75 TCF4 (0.39) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL8902030 0.74 TCF4 (0.38) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL8901605 0.74 TCF4 (0.38) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL9520730 0.73 TCF4 (0.32) TCF4CTNNB1IDO1CTHKDM4E
SCHEMBL8907639 0.71 CTH (0.38) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL8901352 0.68 CTH (0.35) TCF4CTNNB1AKT1IDO1CTH
SCHEMBL8529148 0.65 ADRA1A (0.39) KDM4EALDH1A1HPGD

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 6 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-1995012588-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC. (CA) 1995-05-11 WO disclosed
WO-1994011382-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC. (CA) 1994-05-26 WO disclosed