SCHEMBL28028183

SCHEMBL28028183

C=C(OC)C(=O)OC(C(=O)NCCOC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.37
REN P00797 2/20 0.36
MMP1 P03956 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
CTSK P43235 1/20 0.35
PSMB1 P20618 1/20 0.35
CTSD P07339 1/20 0.34

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
SCHEMBL28027550 0.90 REN (0.40) PSMB5RENMMP1HSP90AA1HSP90AB1
SCHEMBL28028172 0.84 MEN1 (0.41) PSMB5RENMMP1CTSKCTSD
SCHEMBL28821803 0.83 MEN1 (0.44) CTSKCTSD
SCHEMBL28028173 0.81 CTSD (0.35) PSMB5RENMMP1HSP90AA1HSP90AB1
SCHEMBL5707491 0.74 PSMB1 (0.47) PSMB5RENPSMB1
SCHEMBL15299885 0.69 MEN1 (0.47) PSMB5RENPSMB1CTSD
SCHEMBL4391579 0.68 CAPN1 (0.58) CTSKPSMB1
SCHEMBL21458045 0.68 CAPN1 (0.58) CTSKPSMB1
SCHEMBL28582992 0.68 CYP3A4 (0.48) PSMB5RENMMP1PSMB1CTSD
SCHEMBL28582996 0.68 CYP3A4 (0.48) PSMB5RENMMP1PSMB1CTSD

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
CN-103282043-B Congenital agyria therapeutic agent OSAKA CITY UNIVERSITY (JP) 2015-09-30 CN disclosed