SCHEMBL8900149

SCHEMBL8900149

O=C1C2=C(CC(C(=O)C3CC4C(=O)c5ccccc5C(=O)C4=CO3)OC2)C(=O)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.34
PRKACA P17612 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
SCHEMBL8900155 0.82 AKT1 (0.47) AKT1PRKACA
SCHEMBL9755793 0.80 NQO1 (0.32)
SCHEMBL8902037 0.71 AKT1 (0.44) AKT1
SCHEMBL8900948 0.68 AKT1 (0.42) AKT1PRKACA
SCHEMBL8528779 0.66 AKT1 (0.42) AKT1
SCHEMBL31237790 0.65 AKT1 (0.49) AKT1PRKACA
SCHEMBL9755794 0.64 NQO1 (0.42) AKT1
SCHEMBL8899879 0.63 AKT1 (0.33) AKT1
SCHEMBL9755756 0.63 SMN1; SMN2 (0.40) AKT1
SCHEMBL9755757 0.63 MAPT (0.41) AKT1

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 4 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-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