SCHEMBL8894828

SCHEMBL8894828

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.48
CTSD P07339 3/20 0.47
CTSS P25774 3/20 0.47
PSMB5 P28074 2/20 0.46
PSMB11 A5LHX3 1/20 0.46
PSMA7 O14818 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMA1 P25786 1/20 0.46
PSMA2 P25787 1/20 0.46
PSMA3 P25788 1/20 0.46
PSMA4 P25789 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMA5 P28066 1/20 0.46
PSMB4 P28070 1/20 0.46
PSMB6 P28072 1/20 0.46
PSMB10 P40306 1/20 0.46
PSMB3 P49720 1/20 0.46
PSMB2 P49721 1/20 0.46
PSMA6 P60900 1/20 0.46

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
SCHEMBL8892973 0.92 CTSS (0.52) CTSLCTSSPSMB5PSMB11PSMA7
SCHEMBL7432162 0.86 CTSB (0.52) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL6429766 0.83 CTSS (0.52) CTSLCTSSPSMB5PSMB11PSMA7
SCHEMBL7404833 0.81 MMP8 (0.56) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL4311269 0.81 MMP8 (0.56) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL30051590 0.80 ACE (0.64) CTSD
SCHEMBL7514990 0.79 CTSS (0.51) CTSLCTSSPSMB5CTSB
SCHEMBL8894263 0.78 CTSS (0.47) CTSLCTSSPSMB5PSMB11PSMA7
SCHEMBL30051904 0.78 MME (0.57) CTSD
SCHEMBL7388307 0.77 CTSK (0.51) CTSLCTSDCTSSCTSB

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-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed