SCHEMBL22085372

SCHEMBL22085372

CC12CCCCC1(C)OB(c1ccc(Cn3ccc(=O)[nH]c3=O)cc1)O2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 13/20 0.40
▸ PKM P14618 1/20 0.35
▸ EP300 Q09472 3/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL22084416 0.81 HPGD (0.38) —
SCHEMBL22085101 0.71 DUT (0.36) DUTPKM
SCHEMBL20333609 0.71 PKM (0.51) DUTPKMEP300L3MBTL1
SCHEMBL20334334 0.71 MAPT (0.58) DUTPKMEP300L3MBTL1
SCHEMBL29777943 0.69 L3MBTL1 (0.60) DUTPKML3MBTL1
SCHEMBL7759057 0.69 MAPT (0.57) DUTPKML3MBTL1
SCHEMBL26043869 0.69 DUT (0.49) DUTPKMEP300L3MBTL1
SCHEMBL22084690 0.68 DUT (0.37) DUTPKM
SCHEMBL5124651 0.68 DUT (0.50) DUTPKMEP300L3MBTL1
SCHEMBL17371792 0.68 MAPT (0.51) DUTPKML3MBTL1

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
WO-2020117938-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-06-11 — — WO disclosed
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