SCHEMBL10725013

SCHEMBL10725013

CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)P(=O)(O)C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.53
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ MME P08473 4/20 0.46
▸ ECE1 P42892 3/20 0.46
▸ ANPEP P15144 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.43
▸ NMBR P28336 1/20 0.42
▸ ACE P12821 1/20 0.42

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
SCHEMBL10722606 1.00 REN (0.53) RENCTSBCTSKCASP3MME
SCHEMBL10721352 0.93 REN (0.52) RENCTSBCTSKCASP3MME
SCHEMBL10720793 0.90 REN (0.53) RENCTSBCTSKCASP3MME
SCHEMBL10724555 0.90 REN (0.53) RENCTSBCTSKCASP3MME
SCHEMBL10725310 0.90 REN (0.53) RENCTSBCTSKCASP3MME
SCHEMBL10720911 0.88 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10724617 0.88 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10721069 0.86 REN (0.54) RENCTSBCTSKCASP3MME
SCHEMBL10981168 0.85 REN (0.58) RENCTSBCTSKCASP3ERAP1
SCHEMBL10636529 0.85 REN (0.58) RENCTSBCTSKCASP3ERAP1

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
US-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
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