SCHEMBL5711366

SCHEMBL5711366

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.58
CTRC Q99895 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL5711273 0.90 CMA1 (0.65) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711268 0.90 CMA1 (0.65) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711319 0.89 CAPN1 (0.50) CMA1
SCHEMBL7666940 0.89 CAPN1 (0.50) CMA1
SCHEMBL5711237 0.89 ELANE (0.49) CMA1
SCHEMBL5711243 0.88 CMA1 (0.50) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711224 0.88 CMA1 (0.48) CMA1ACE
SCHEMBL5711265 0.86 ELANE (0.43) CMA1
SCHEMBL7659218 0.86 CMA1 (0.52) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711388 0.85 CMA1 (0.43) CMA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed