SCHEMBL8076165

SCHEMBL8076165

Cc1cccc2c1c(Cn1c(=O)n([C@H](O)C(=O)O)c(=O)c3ccccc31)cn2C

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 0.67
CTSG P08311 1/20 0.61

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
SCHEMBL3683073 0.91 CMA1 (0.66) CMA1CTSG
SCHEMBL3695211 0.91 CMA1 (0.66) CMA1CTSG
SCHEMBL3679635 0.90 CMA1 (0.82) CMA1CTSG
SCHEMBL3683768 0.90 CMA1 (0.82) CMA1CTSG
SCHEMBL3679631 0.90 CMA1 (0.82) CMA1CTSG
SCHEMBL3685766 0.89 CMA1 (0.70) CMA1CTSG
SCHEMBL3688506 0.89 CMA1 (0.70) CMA1CTSG
SCHEMBL3688933 0.89 CMA1 (0.70) CMA1CTSG
SCHEMBL3681839 0.88 CMA1 (0.81) CMA1CTSG
SCHEMBL3684188 0.88 CMA1 (0.62) CMA1CTSG

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-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed