SCHEMBL8535989

SCHEMBL8535989

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
BACE1 P56817 5/20 0.44
CA2 P00918 1/20 0.43
TRPA1 O75762 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL9331274 0.84 CTSK (0.53) CTSSCTSKMEN1KMT2AATM
SCHEMBL8385834 0.84 CTSK (0.54) CTSSCTSKMEN1KMT2AATM
SCHEMBL8771874 0.80 CTSS (0.49) CTSSCTSKMEN1KMT2AATM
SCHEMBL21731607 0.78 CTSS (0.58) CTSSCTSKMEN1KMT2AATM
SCHEMBL21731703 0.78 CTSS (0.58) CTSSCTSKMEN1KMT2AATM
SCHEMBL10493837 0.78 CTSK (0.47) CTSSCTSKMEN1KMT2AATM
SCHEMBL27351561 0.77 CTSK (0.49) CTSSCTSKMEN1KMT2AATM
SCHEMBL14250689 0.77 CTSK (0.51) CTSSCTSKATMAPP
SCHEMBL3414715 0.77 CTSK (0.51) CTSSCTSKATMAPP
SCHEMBL3379781 0.77 CTSK (0.51) CTSSCTSKATMAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843967-A1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA S.r.l. (IT) 1998-05-27 EP disclosed
EP-0718280-A2 Derivatives of beta-aminopropionic acid with a fungicidal activity ISAGRO RICERCA S.r.l. (IT) 1996-06-26 EP disclosed