SCHEMBL27292008

SCHEMBL27292008

COC(=O)C(NC(=O)C(NC(=O)CCC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.58
CTSD P07339 4/20 0.56
REN P00797 5/20 0.55
KLK5 Q9Y337 1/20 0.54
BCL2 P10415 1/20 0.52
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB10 P40306 1/20 0.49
PSMB2 P49721 1/20 0.49
PTPN1 P18031 1/20 0.49
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
YAP1 P46937 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL7332668 0.92 ACE (0.68) ACECTSDRENKLK5PSEN1
SCHEMBL7326125 0.89 ACE (0.66) ACECTSDRENKLK5
SCHEMBL10377248 0.82 ACE (0.65) ACERENBCL2PSMB10PSMB2
SCHEMBL7332128 0.82 ACE (0.65) ACERENBCL2PSMB10PSMB2
SCHEMBL6161729 0.81 BCL2 (0.64) RENKLK5BCL2PTPN1YAP1
SCHEMBL3350988 0.81 BCL2 (0.64) RENKLK5BCL2PTPN1YAP1
SCHEMBL3500186 0.81 BCL2 (0.64) RENKLK5BCL2PTPN1YAP1
SCHEMBL28961339 0.80 CTSD (0.67) CTSDRENKLK5PSEN1PSEN2
SCHEMBL11661865 0.80 CTSD (0.67) CTSDRENKLK5PSEN1PSEN2
SCHEMBL12706388 0.80 BCL2 (0.64) RENBCL2PSMB1PSMB8PSMB9

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-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed