SCHEMBL8944832

SCHEMBL8944832

C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CC(N)=O)C(=O)NC(Cc1ccccc1)C1OC1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.47
CTSD P07339 1/20 0.47
CTSL P07711 5/20 0.45
CTSB P07858 5/20 0.42
PSMB8 P28062 4/20 0.42
PSMB5 P28074 3/20 0.42
PSMB9 P28065 2/20 0.42
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42
PSMA2 P25787 1/20 0.42
PSMA3 P25788 1/20 0.42
PSMA4 P25789 1/20 0.42
PSMA5 P28066 1/20 0.42
PSMB4 P28070 1/20 0.42
PSMB6 P28072 1/20 0.42
PSMB10 P40306 1/20 0.42
PSMB3 P49720 1/20 0.42
PSMB2 P49721 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
SCHEMBL8944978 0.93 CTSS (0.56) CTSSCTSDCTSLCTSBPSMB8
SCHEMBL8944695 0.88 REN (0.45) CTSD
SCHEMBL8944981 0.82 CTSD (0.48) CTSDCTSLCTSBPSMB8PSMB5
SCHEMBL8944991 0.81 PSMB8 (0.47) CTSDCTSBPSMB8PSMB5PSMB9
SCHEMBL8663687 0.76 CTSD (0.47) CTSSCTSDCTSLCTSBPSMB8
SCHEMBL8944865 0.76 CTSL (0.50) CTSSCTSDCTSLCTSBCTSK
SCHEMBL8665786 0.75 CTSD (0.48) CTSDCTSLPSMB5
SCHEMBL8664078 0.72 CTSD (0.60) CTSDPSMB5
SCHEMBL8662047 0.71 PSMB1 (0.54) CTSSCTSLCTSBPSMB1CTSK
SCHEMBL8664364 0.71 CTSD (0.49) CTSDCTSLCTSBPSMB1CTSK

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
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP disclosed