SCHEMBL9328534

SCHEMBL9328534

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.56
BACE1 P56817 6/20 0.55
PSMB1 P20618 3/20 0.51
PSMB9 P28065 2/20 0.51
PSMB10 P40306 2/20 0.51
PSMB5 P28074 2/20 0.51
PSMB2 P49721 2/20 0.51
PSMB8 P28062 1/20 0.51
CCKBR P32239 1/20 0.51
CTSS P25774 1/20 0.50

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
SCHEMBL9328525 1.00 REN (0.56) RENBACE1PSMB1PSMB9PSMB10
SCHEMBL6803382 0.88 CTSS (0.63) RENPSMB1PSMB9PSMB10PSMB5
SCHEMBL6803119 0.88 CTSS (0.63) RENPSMB1PSMB9PSMB10PSMB5
SCHEMBL6803127 0.88 CTSS (0.63) RENPSMB1PSMB9PSMB10PSMB5
SCHEMBL3840582 0.86 PPARG (0.58) RENCTSS
SCHEMBL3821796 0.84 PPARA (0.60) RENCTSS
SCHEMBL3819534 0.83 REN (0.52) REN
SCHEMBL7447752 0.82 GAA (0.54) BACE1
SCHEMBL7447745 0.82 GAA (0.54) BACE1
SCHEMBL9329807 0.82 BACE1 (0.49) BACE1PSMB1PSMB5PSMB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298409-A Of esters, antigen diastereomers which are stable analogs of the unstable ester transition states THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-29 US disclosed
US-5190865-A Antibody-enhanced stereospecific hydrolyses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-03-02 US disclosed