SCHEMBL8549092

SCHEMBL8549092

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.64
CTSK P43235 2/20 0.64
CA2 P00918 2/20 0.59
ANPEP P15144 1/20 0.59
BACE1 P56817 9/20 0.59
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
ATM Q13315 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL8549086 1.00 CTSS (0.64) CTSSCTSKCA2ANPEPBACE1
SCHEMBL4750042 0.89 CTSS (0.61) CTSSCTSKBACE1
SCHEMBL9006099 0.88 CA2 (0.74) CTSSCTSKCA2BACE1CTSL
SCHEMBL9006092 0.88 CA2 (0.74) CTSSCTSKCA2BACE1CTSL
SCHEMBL9128016 0.87 TP53 (0.62) CTSSCTSKCA2BACE1KMT2A
SCHEMBL9128031 0.87 TP53 (0.62) CTSSCTSKCA2BACE1KMT2A
SCHEMBL29472197 0.85 CTSS (0.63) CTSSCTSKCA2BACE1CTSL
SCHEMBL29460401 0.84 CTSS (0.65) CTSSCTSKCA2CTSLCTSB
SCHEMBL2393583 0.83 BACE1 (0.59) CTSSCTSKBACE1CTSLCTSB
SCHEMBL29253632 0.83 BACE1 (0.59) CTSSCTSKBACE1CTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed