SCHEMBL27720494

SCHEMBL27720494

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)OCC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ MAPT P10636 5/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ ITGA4 P13612 1/20 0.51
▸ ITGB7 P26010 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ KLK5 Q9Y337 1/20 0.50
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ EPHX2 P34913 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
SCHEMBL1324941 0.90 CTSS (0.59) CTSSCTSKCTSLCTSBACE
SCHEMBL18435382 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBMAPT
SCHEMBL16459753 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBMAPT
SCHEMBL16459752 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBMAPT
SCHEMBL19485480 0.85 CTSK (0.62) CTSSCTSKCTSLCTSBMAPT
SCHEMBL9219338 0.85 CTSK (0.62) CTSSCTSKCTSLCTSBMAPT
SCHEMBL16944141 0.84 CTSS (0.58) CTSSCTSKCTSLCTSBACE
SCHEMBL9185851 0.81 ACE (0.49) CTSSCTSKCTSLCTSBMAPT
SCHEMBL9995844 0.81 CTSK (0.60) CTSSCTSKCTSLCTSBMAPT
SCHEMBL2058584 0.81 CTSK (0.60) CTSSCTSKCTSLCTSBMAPT

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-101296937-A Asymmetric synthesis of peptides UNIV READING (GB) 2008-10-29 — — CN disclosed
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