SCHEMBL7660586

SCHEMBL7660586

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)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.40
KMT2A Q03164 2/20 0.39
KLK5 Q9Y337 1/20 0.39
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
CTRC Q99895 2/20 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
SCHEMBL7661712 0.91 CTSD (0.40)
SCHEMBL7671000 0.86 CMA1 (0.41) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7668502 0.86 CMA1 (0.40) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7661534 0.86 CMA1 (0.45) CMA1KMT2AMEN1ATM
SCHEMBL7665089 0.85 CMA1 (0.44) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7667974 0.85 CMA1 (0.47) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7667170 0.84 CMA1 (0.48) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7661645 0.83 CMA1 (0.40) CMA1KMT2AKLK5MEN1ATM
SCHEMBL7658536 0.80 CMA1 (0.52) CMA1KMT2AMEN1ATMCTRC
SCHEMBL6347120 0.79 KLK5 (0.49) KLK5ATM

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