SCHEMBL9754444

SCHEMBL9754444

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.57
ACE P12821 1/20 0.56
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CA2 P00918 1/20 0.53
AKT1 P31749 1/20 0.52
APP P05067 2/20 0.52
BACE1 P56817 4/20 0.51
PSMB1 P20618 1/20 0.50
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMB5 P28074 1/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49

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
SCHEMBL31744319 0.89 ACE (0.64) RENACECTSSCTSKCTSL
SCHEMBL638877 0.89 ACE (0.68) RENACECTSSCTSKCTSL
SCHEMBL495795 0.89 ACE (0.68) RENACECTSSCTSKCTSL
SCHEMBL495794 0.89 ACE (0.68) RENACECTSSCTSKCTSL
SCHEMBL28980533 0.87 KLK5 (0.62) RENACECTSSCTSKCTSL
SCHEMBL28980600 0.87 KLK5 (0.62) RENACECTSSCTSKCTSL
SCHEMBL11518112 0.86 REN (0.63) RENACECTSSCTSKCTSL
SCHEMBL17350165 0.85 ACE (0.64) RENACECTSSCTSKCTSL
SCHEMBL9754234 0.85 CTSL (0.57) CTSSCTSKCTSLCTSBPSMB1
SCHEMBL7450821 0.83 ACE (0.61) RENACECTSSCTSKCTSL

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
WO-1991008221-A1 PEPTIDE INHIBITORS OF HIV PROTEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-06-13 WO disclosed