SCHEMBL13019356

SCHEMBL13019356

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCCCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRL P40313 6/20 0.65
TMPRSS11D O60235 4/20 0.65
PSMB5 P28074 12/20 0.64
CYP3A4 P08684 2/20 0.64
CYP3A5 P20815 2/20 0.64
CYP3A7 P24462 2/20 0.64
CYP3A43 Q9HB55 2/20 0.64
PSMB9 P28065 2/20 0.64
PSMB11 A5LHX3 1/20 0.64
PSMD11 O00231 1/20 0.64
PSMD12 O00232 1/20 0.64
PSMD14 O00487 1/20 0.64
PSMA7 O14818 1/20 0.64
PSMD3 O43242 1/20 0.64
CTSB P07858 1/20 0.64
PSMC3 P17980 1/20 0.64
PSMB1 P20618 1/20 0.64
PSMA1 P25786 1/20 0.64
PSMA2 P25787 1/20 0.64
PSMA3 P25788 1/20 0.64

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
SCHEMBL8267511 0.94 CTRL (0.68) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL13019269 0.91 PSMB5 (0.58) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL84517 0.90 PSMB5 (0.69) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL18257553 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL8075093 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL23616318 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL18257561 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL8080983 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL20825238 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5
SCHEMBL20218351 0.89 CTRL (0.80) CTRLTMPRSS11DPSMB5CYP3A4CYP3A5

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-2266999-A2 Compounds for proteasome enzym inhibition Onyx Therapeutics, Inc. (US) 2010-12-29 EP disclosed