SCHEMBL22084690

SCHEMBL22084690

CCC1C2OB(c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)OC2(c2ccccc2)C(C)(C)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 9/20 0.37
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRBN Q96SW2 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
SCHEMBL22085101 0.81 DUT (0.36) DUTPKM
SCHEMBL22085372 0.68 DUT (0.40) DUTPKM
SCHEMBL2800300 0.66 DUT (0.59) DUTHPGDCRBN
SCHEMBL20333609 0.63 PKM (0.51) DUTPKMCRBN
Ethylene SCHEMBL28028835 0.63 DUT (0.56) DUTHPGDCRBN
SCHEMBL22084687 0.63 HPGD (0.35) HPGDMEN1KMT2A
SCHEMBL22085116 0.63 DUT (0.32) DUTPKM
SCHEMBL26043869 0.61 DUT (0.49) DUTPKMCRBN
SCHEMBL22084413 0.61 HPGD (0.38) HPGDMEN1KMT2A
SCHEMBL20334334 0.61 MAPT (0.58) DUTPKMHPGDMEN1KMT2A

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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