SCHEMBL9543958

SCHEMBL9543958

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
HTRA1 Q92743 1/20 0.42
CMA1 P23946 7/20 0.38
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
APP P05067 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL9544811 0.86 ELANE (0.51) ELANEHTRA1CMA1APP
SCHEMBL9544288 0.85 CXCR3 (0.41) CMA1ATM
SCHEMBL9543947 0.83 KMT2A (0.45) ELANEHTRA1CMA1ATMKMT2A
SCHEMBL9543950 0.83 KMT2A (0.45) ELANEHTRA1CMA1ATMKMT2A
SCHEMBL9542465 0.78 GRIN2B (0.43) KMT2A
SCHEMBL9545331 0.78 APP (0.40) ATMAPP
SCHEMBL9544889 0.76 ACE (0.52)
SCHEMBL9544378 0.75 FNTA (0.46) ELANECMA1KMT2ACTSL
SCHEMBL9544383 0.75 FNTA (0.46) ELANECMA1KMT2ACTSL
SCHEMBL9544087 0.75 HTRA1 (0.49) HTRA1KMT2A

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