SCHEMBL22085116

SCHEMBL22085116

C=C/C=C(\C)C1(C)OB(c2ccc(Cn3ccc(=O)[nH]c3=O)cc2)OC1C(C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 5/20 0.32
▸ PKM P14618 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
SCHEMBL22085372 0.67 DUT (0.40) DUTPKM
SCHEMBL22084690 0.63 DUT (0.37) DUTPKM
SCHEMBL22085101 0.62 DUT (0.36) DUTPKM
SCHEMBL20333622 0.62 LMNA (0.50) DUTPKM
SCHEMBL20333609 0.60 PKM (0.51) DUTPKM
SCHEMBL20334334 0.60 MAPT (0.58) DUTPKM
SCHEMBL23498276 0.59 DUT (0.48) DUTPKM
SCHEMBL29777943 0.59 L3MBTL1 (0.60) DUTPKM
SCHEMBL23513472 0.58 ALDH1A1 (0.44) DUTPKM
SCHEMBL25370943 0.58 ALDH1A1 (0.49) DUTPKM

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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