SCHEMBL28028173

SCHEMBL28028173

C=C(OC)C(=O)OC(C(=O)C1Cc2ccccc2C1)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.35
PSMB5 P28074 4/20 0.35
MMP1 P03956 1/20 0.35
MME P08473 1/20 0.34
APP P05067 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MMP3 P08254 1/20 0.33
REN P00797 3/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33

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
SCHEMBL28028172 0.85 MEN1 (0.41) CTSDPSMB5MMP1REN
SCHEMBL28027550 0.84 REN (0.40) CTSDPSMB5MMP1MMEREN
SCHEMBL28821803 0.83 MEN1 (0.44) CTSD
SCHEMBL28028183 0.81 PSMB5 (0.37) CTSDPSMB5MMP1RENHSP90AA1
SCHEMBL15299885 0.72 MEN1 (0.47) CTSDPSMB5REN
SCHEMBL5707491 0.70 PSMB1 (0.47) PSMB5MMEREN
SCHEMBL21458026 0.66 MEN1 (0.46) REN
SCHEMBL21457988 0.66 CAPN1 (0.64) PSMB5MMP1
SCHEMBL28582996 0.65 CYP3A4 (0.48) CTSDPSMB5MMP1MMP3REN
SCHEMBL28582992 0.65 CYP3A4 (0.48) CTSDPSMB5MMP1MMP3REN

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