SCHEMBL31001585

SCHEMBL31001585

CC(C)(C)OC(=O)n1cnc(C[C@H](N)C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 9/20 0.31
▸ CPB1 P15086 3/20 0.31
▸ LIPC P11150 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL31482347 0.85 KLK7 (0.35) CPB2
SCHEMBL3745036 0.85 KLK7 (0.35) CPB2
SCHEMBL3745041 0.85 KLK7 (0.35) CPB2
SCHEMBL30786466 0.83 CPB2 (0.37) CPB2CPB1LIPCLIPG
SCHEMBL18218809 0.81 CPB2 (0.33) CPB2CPB1
SCHEMBL7488160 0.80 SLC7A5 (0.42) CPB2CPB1
SCHEMBL25717615 0.80 KLK7 (0.35) —
SCHEMBL18207164 0.79 KDM4E (0.35) —
SCHEMBL18207163 0.79 KDM4E (0.35) —
SCHEMBL20759177 0.76 CPB2 (0.39) CPB2CPB1

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-2024177959-A1 SMALL MOLECULE TRACER LIGANDS FOR AMINOACYL-TRNA SYNTHETASE ASSAYS THE GENERAL HOSPITAL CORPORATION (US) 2024-08-29 — — WO disclosed
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