SCHEMBL10487543

SCHEMBL10487543

Cc1ccc(N(CC(=O)O)C(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.55
CTSL P07711 4/20 0.55
CTSB P07858 3/20 0.55
CTSS P25774 3/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
ATM Q13315 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
SCHEMBL10658290 0.93 CTSK (0.59) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487645 0.87 CTSK (0.49) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487546 0.87 CTSL (0.59) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7626284 0.86 F2 (0.50) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10969044 0.84 CTSK (0.52) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487768 0.83 MEN1 (0.60) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7618770 0.83 LGMN (0.48) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487576 0.82 CTSK (0.48) CTSKCTSLCTSBCTSSMEN1
SCHEMBL20323002 0.81 MEN1 (0.69) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10546331 0.79 CTSS (0.60) CTSKCTSLCTSBCTSSMEN1

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-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed