SCHEMBL5711273

SCHEMBL5711273

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.65
CTRC Q99895 2/20 0.58
ELANE P08246 3/20 0.52
CTSG P08311 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL5711268 1.00 CMA1 (0.65) CMA1CTRCELANECTSGKMT2A
SCHEMBL7662788 0.90 CMA1 (0.56) CMA1CTRCELANECTSG
SCHEMBL7662793 0.90 CMA1 (0.56) CMA1CTRCELANECTSG
SCHEMBL5711366 0.90 CMA1 (0.58) CMA1CTRCKMT2AMEN1ATM
SCHEMBL7663204 0.87 CMA1 (0.53) CMA1CTRCELANEKMT2AMEN1
SCHEMBL7659218 0.84 CMA1 (0.52) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711368 0.84 CMA1 (0.51) CMA1CTRCKMT2AMEN1ATM
SCHEMBL5711349 0.83 CMA1 (0.50) CMA1CTRCKMT2AMEN1ATM
SCHEMBL7661700 0.83 CMA1 (0.58) CMA1CTRCELANECTSGKMT2A
SCHEMBL5711189 0.83 CMA1 (0.49) 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