SCHEMBL7671000

SCHEMBL7671000

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.41
KMT2A Q03164 2/20 0.40
KLK5 Q9Y337 1/20 0.40
BACE1 P56817 2/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7661037 0.91 CTSD (0.41) CMA1
SCHEMBL7661645 0.87 CMA1 (0.40) CMA1KMT2AKLK5BACE1MEN1
SCHEMBL7660586 0.86 CMA1 (0.40) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7667974 0.86 CMA1 (0.47) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7667170 0.85 CMA1 (0.48) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7663017 0.85 CMA1 (0.46) CMA1KMT2AMEN1ATM
SCHEMBL7658320 0.85 CMA1 (0.45) CMA1KMT2AKLK5BACE1
SCHEMBL7668502 0.83 CMA1 (0.40) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7658536 0.81 CMA1 (0.52) CMA1KMT2AMEN1ATM
SCHEMBL7664353 0.81 CMA1 (0.45) CMA1KMT2AMEN1ATM

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
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed