SCHEMBL9854732

SCHEMBL9854732

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
APP P05067 2/20 0.41
BACE1 P56817 6/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL4117141 0.89 CTSK (0.51) CTSSCTSKAPPATM
SCHEMBL8380269 0.89 CTSK (0.51) CTSSCTSKAPPATM
SCHEMBL3184905 0.89 CTSK (0.51) CTSSCTSKAPPATM
SCHEMBL4117143 0.89 CTSK (0.51) CTSSCTSKAPPATM
SCHEMBL30641554 0.83 KLK5 (0.48) CTSSCTSKAPPATM
SCHEMBL18938358 0.81 CTSS (0.48) CTSSCTSKAPP
SCHEMBL29701907 0.80 CTSK (0.51) CTSSCTSKATM
SCHEMBL29702002 0.80 CTSK (0.51) CTSSCTSKATM
SCHEMBL23158638 0.78 CTSK (0.49) CTSSCTSKAPPATM
SCHEMBL8895040 0.78 KLK5 (0.51) CTSSCTSKATM

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
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed