SCHEMBL8901498

SCHEMBL8901498

CC(=O)[C@H]1CC2=C(C(=O)c3cc4ccccc4c(O)c3C2=O)[C@H](OC[C@H](O)CO)C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 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
SCHEMBL8903349 1.00 NQO1 (0.32) NQO1
SCHEMBL8901645 0.82 NQO1 (0.36) NQO1
SCHEMBL8903145 0.69 NQO1 (0.38) NQO1
SCHEMBL8901769 0.65 NQO1 (0.41) NQO1
SCHEMBL8901799 0.65 NQO1 (0.37) NQO1
SCHEMBL8903047 0.65 NQO1 (0.40) NQO1
SCHEMBL8903328 0.65 NQO1 (0.40) NQO1
SCHEMBL9755770 0.63 NQO1 (0.37) NQO1
SCHEMBL8901643 0.63 NQO1 (0.33) NQO1
SCHEMBL11130086 0.62 BCL2 (0.61) NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed