SCHEMBL8921739

SCHEMBL8921739

C[C@@H](C[C@@H](N=C=O)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.49
CTSS P25774 9/20 0.49
CTSL P07711 8/20 0.49
CTSB P07858 6/20 0.49
ATM Q13315 1/20 0.48
ACE2 Q9BYF1 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 2/20 0.46
PRTN3 P24158 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
SCHEMBL8921733 1.00 CTSK (0.49) CTSKCTSSCTSLCTSBATM
SCHEMBL8122104 0.92 CTSK (0.48) CTSKCTSSCTSLCTSBATM
SCHEMBL6841176 0.80 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL7422252 0.80 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL27926954 0.80 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL10108119 0.79 CTSK (0.55) CTSKCTSSCTSLCTSBATM
SCHEMBL8609108 0.77 CTSK (0.46) CTSKCTSSCTSLCTSBACE2
SCHEMBL8609103 0.77 CTSK (0.46) CTSKCTSSCTSLCTSBACE2
SCHEMBL13572927 0.76 ATM (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL6407665 0.76 ATM (0.59) CTSKCTSSCTSLCTSBATM

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-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed