SCHEMBL5711368

SCHEMBL5711368

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.51
CTRC Q99895 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
F2 P00734 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41

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
SCHEMBL5711291 0.90 CAPN1 (0.44) CMA1F2MMP2MMP3MMP7
SCHEMBL5711349 0.88 CMA1 (0.50) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711189 0.85 CMA1 (0.49) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711366 0.85 CMA1 (0.58) CMA1CTRCKMT2AMEN1ATM
SCHEMBL7663017 0.85 CMA1 (0.46) CMA1CTRCKMT2AMEN1ATM
SCHEMBL7658320 0.85 CMA1 (0.45) CMA1CTRCKMT2A
SCHEMBL5711268 0.84 CMA1 (0.65) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711273 0.84 CMA1 (0.65) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711269 0.83 CMA1 (0.49) CMA1CTRC
SCHEMBL7659218 0.80 CMA1 (0.52) CMA1CTRCKMT2AMEN1ATM

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