SCHEMBL9755830

SCHEMBL9755830

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

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.70
MME P08473 2/20 0.69
ANPEP P15144 1/20 0.53
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 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
SCHEMBL9755813 0.91 MME (0.78) BIRC2MMEANPEPCTSSCTSL
SCHEMBL9755824 0.90 MME (0.80) BIRC2MME
SCHEMBL9755828 0.87 MME (0.67) BIRC2MMEANPEP
SCHEMBL7320279 0.82 BIRC2 (0.76) BIRC2MME
SCHEMBL9755834 0.82 MME (1.00) MME
SCHEMBL11123333 0.81 BIRC2 (0.74) BIRC2MME
SCHEMBL9755802 0.81 MME (0.76) MMEANPEP
SCHEMBL7309896 0.79 BIRC2 (0.70) BIRC2MME
SCHEMBL10950839 0.78 MME (0.78) BIRC2MME
SCHEMBL7320818 0.78 BIRC2 (0.69) BIRC2MME

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-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed