SCHEMBL28028172

SCHEMBL28028172

C=C(OC)C(=O)OC(C(=O)NC1CC1)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CAPN1 P07384 5/20 0.41
BACE1 P56817 2/20 0.36
PSMB5 P28074 2/20 0.36
CTSK P43235 3/20 0.35
CTSD P07339 2/20 0.35
MMP1 P03956 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
REN P00797 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
SCHEMBL28821803 0.97 MEN1 (0.44) MEN1TSHRKMT2ACAPN1BACE1
SCHEMBL28027550 0.87 REN (0.40) PSMB5CTSDMMP1REN
SCHEMBL28028173 0.85 CTSD (0.35) PSMB5CTSDMMP1REN
SCHEMBL28028183 0.84 PSMB5 (0.37) PSMB5CTSKCTSDMMP1REN
SCHEMBL15299885 0.84 MEN1 (0.47) MEN1TSHRKMT2ACAPN1BACE1
SCHEMBL21458026 0.78 MEN1 (0.46) MEN1TSHRKMT2ACAPN1REN
SCHEMBL21457988 0.76 CAPN1 (0.64) MEN1TSHRKMT2ACAPN1PSMB5
SCHEMBL28028156 0.76 CAPN1 (0.37) MEN1TSHRKMT2ACAPN1BACE1
SCHEMBL5707491 0.72 PSMB1 (0.47) PSMB5REN
SCHEMBL21555137 0.70 SMN1; SMN2 (0.45) MEN1TSHRKMT2ACAPN1BACE1

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