SCHEMBL9544084

SCHEMBL9544084

CC(O)C(NC(=O)OC(C)(C)C)C(=O)N1[C@@H](C(=O)O)CC[C@H]1c1ccccc1.c1ccc2c(c1)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
FFAR2 O15552 1/20 0.39
CMA1 P23946 1/20 0.38
KMT2A Q03164 1/20 0.37
APP P05067 1/20 0.37
CTSL P07711 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9544080 0.81 CTSL (0.43) ACECMA1KMT2ACTSL
SCHEMBL9544075 0.81 CTSL (0.43) ACECMA1KMT2ACTSL
SCHEMBL9544811 0.81 ELANE (0.51) ACECMA1APPKDM1AMAOB
SCHEMBL9544889 0.80 ACE (0.52) ACE
SCHEMBL9543596 0.77 CCR1 (0.41) FFAR2KMT2A
SCHEMBL16584668 0.77 TSHR (0.50) ACEKMT2AAPP
SCHEMBL27726218 0.76 ACE (0.55) ACECMA1
SCHEMBL27726215 0.76 ACE (0.55) ACECMA1
SCHEMBL9543958 0.73 ELANE (0.43) CMA1KMT2AAPPCTSL
SCHEMBL2896922 0.73 FFAR2 (0.51) FFAR2

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed