SCHEMBL20431178

SCHEMBL20431178

CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)[C@@]1(C)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRL P40313 12/20 1.00
▸ TMPRSS11D O60235 6/20 1.00
▸ PSMB5 P28074 8/20 0.73
▸ PSMB11 A5LHX3 1/20 0.73
▸ PSMD11 O00231 1/20 0.73
▸ PSMD12 O00232 1/20 0.73
▸ PSMD14 O00487 1/20 0.73
▸ PSMA7 O14818 1/20 0.73
▸ PSMD3 O43242 1/20 0.73
▸ CTSB P07858 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ PSMC3 P17980 1/20 0.73
▸ PSMB1 P20618 1/20 0.73
▸ CYP3A5 P20815 1/20 0.73
▸ CYP3A7 P24462 1/20 0.73
▸ PSMA1 P25786 1/20 0.73
▸ PSMA2 P25787 1/20 0.73
▸ PSMA3 P25788 1/20 0.73
▸ PSMA4 P25789 1/20 0.73
▸ PSMB8 P28062 1/20 0.73

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
SCHEMBL17452199 1.00 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL18942483 1.00 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL17452273 1.00 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL18942322 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL17452231 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL20431104 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL18942326 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL18942319 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL21954029 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11
SCHEMBL17452262 0.97 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB11PSMD11

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
EP-3166933-B1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INT INC (US) 2018-08-01 — — EP disclosed
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