SCHEMBL5711206

SCHEMBL5711206

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.51
CCR1 P32246 2/20 0.45
ELANE P08246 3/20 0.42
CTSG P08311 1/20 0.42
ACE P12821 1/20 0.40

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
SCHEMBL5711265 0.91 ELANE (0.43) CMA1CCR1ELANECTSG
SCHEMBL5711224 0.89 CMA1 (0.48) CMA1ELANECTSGACE
SCHEMBL5711388 0.89 CMA1 (0.43) CMA1ELANECTSG
SCHEMBL7665223 0.87 CMA1 (0.42) CMA1ELANECTSG
SCHEMBL7660638 0.85 CCR1 (0.46) CMA1CCR1ELANEACE
SCHEMBL5711172 0.85 TACR1 (0.47) CMA1ELANECTSG
SCHEMBL7666940 0.85 CAPN1 (0.50) CMA1CCR1
SCHEMBL5711319 0.85 CAPN1 (0.50) CMA1CCR1
SCHEMBL5711237 0.85 ELANE (0.49) CMA1ELANE
SCHEMBL5711235 0.85 ACE (0.52) CMA1CCR1ACE

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