SCHEMBL28027550

SCHEMBL28027550

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.40
PSMB5 P28074 2/20 0.37
MMP1 P03956 1/20 0.37
MME P08473 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
PSMB1 P20618 1/20 0.36
CTSD P07339 2/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL28028183 0.90 PSMB5 (0.37) RENPSMB5MMP1HSP90AA1HSP90AB1
SCHEMBL28028172 0.87 MEN1 (0.41) RENPSMB5MMP1CTSD
SCHEMBL28821803 0.85 MEN1 (0.44) CTSD
SCHEMBL28028173 0.84 CTSD (0.35) RENPSMB5MMP1MMEHSP90AA1
SCHEMBL5707491 0.83 PSMB1 (0.47) RENPSMB5MMEPSMB1LTA4H
SCHEMBL21457977 0.75 CAPN1 (0.50) MMP1MMELTA4H
SCHEMBL15299885 0.71 MEN1 (0.47) RENPSMB5PSMB1CTSD
SCHEMBL21458071 0.70 MMP1 (0.44) MMP1LTA4H
SCHEMBL17596479 0.69 LAP3 (0.50) RENMMEPSMB1CTSDLTA4H
Hydrochloric Acid SCHEMBL20474482 0.68 LAP3 (0.49) RENMMEPSMB1CTSDLTA4H

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