SCHEMBL7325133

SCHEMBL7325133

COC(=O)C(NC(=O)[C@H](NC(=O)[C@@H]1CCCC1C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
KLK5 Q9Y337 1/20 0.52
PSEN1 P49768 7/20 0.51
PSEN2 P49810 7/20 0.51
APH1B Q8WW43 7/20 0.51
NCSTN Q92542 7/20 0.51
APH1A Q96BI3 7/20 0.51
PSENEN Q9NZ42 7/20 0.51
REN P00797 3/20 0.51
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL7322611 0.85 KLK5 (0.58) CTSDKMT2AMEN1ATMKLK5
SCHEMBL7330949 0.85 KLK5 (0.58) CTSDKMT2AMEN1ATMKLK5
SCHEMBL7323031 0.85 KLK5 (0.58) CTSDKMT2AMEN1ATMKLK5
SCHEMBL28961339 0.83 CTSD (0.67) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL11661865 0.83 CTSD (0.67) CTSDKLK5PSEN1PSEN2APH1B
SCHEMBL7330691 0.82 CTSD (0.54) CTSDKMT2AMEN1
SCHEMBL7330359 0.82 ACE (0.56) KMT2AATMCTSSCTSLCTSB
SCHEMBL7330351 0.82 ACE (0.56) KMT2AATMCTSSCTSLCTSB
SCHEMBL7329299 0.82 ACE (0.56) KMT2AATMCTSSCTSLCTSB
SCHEMBL7331478 0.81 BACE1 (0.49) CTSDCTSBCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed