SCHEMBL9544811

SCHEMBL9544811

CC(O)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.51
HTRA1 Q92743 1/20 0.48
CMA1 P23946 5/20 0.40
ACE P12821 1/20 0.40
CCKBR P32239 1/20 0.37
APP P05067 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
SCHEMBL9543958 0.86 ELANE (0.43) ELANEHTRA1CMA1APP
SCHEMBL9544889 0.83 ACE (0.52) ACE
SCHEMBL9544800 0.81 ELANE (0.49) ELANEHTRA1CMA1ACE
SCHEMBL9544805 0.81 ELANE (0.49) ELANEHTRA1CMA1ACE
SCHEMBL9544084 0.81 ACE (0.40) CMA1ACEAPPKDM1AMAOB
SCHEMBL27726218 0.80 ACE (0.55) CMA1ACE
SCHEMBL27726215 0.80 ACE (0.55) CMA1ACE
SCHEMBL9543775 0.77 GRIN2B (0.45)
SCHEMBL16584668 0.77 TSHR (0.50) ACEAPP
SCHEMBL9544288 0.76 CXCR3 (0.41) CMA1ACE

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