SCHEMBL11042838

SCHEMBL11042838

CC(C)C[CH]NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.43
▸ CTSL P07711 6/20 0.43
▸ CTSB P07858 4/20 0.43
▸ CTSS P25774 3/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ HDAC1 Q13547 5/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ CASP3 P42574 2/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NMBR P28336 1/20 0.41

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
SCHEMBL11016386 1.00 REN (0.43) RENCTSLCTSBCTSSMMP2
SCHEMBL11015814 1.00 REN (0.43) RENCTSLCTSBCTSSMMP2
SCHEMBL11015310 0.90 REN (0.53) RENCTSLCTSBCTSSCASP3
SCHEMBL11015890 0.90 REN (0.53) RENCTSLCTSBCTSSCASP3
SCHEMBL11014291 0.90 REN (0.53) RENCTSLCTSBCTSSCASP3
SCHEMBL10721020 0.83 REN (0.44) RENCTSLCTSBCTSSMMP2
SCHEMBL10721167 0.83 REN (0.44) RENCTSLCTSBCTSSMMP2
SCHEMBL10721157 0.83 REN (0.44) RENMMP2MMP9MMP8HDAC1
SCHEMBL10721016 0.83 REN (0.44) RENMMP2MMP9MMP8HDAC1
SCHEMBL10725225 0.82 REN (0.43) RENCTSBMMP2MMP9MMP8

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
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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