SCHEMBL5711285

SCHEMBL5711285

CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CSC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
ELANE P08246 12/20 0.49
ACE P12821 2/20 0.45
SLC1A3 P43003 1/20 0.41
CAPN1 P07384 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
SCHEMBL5711229 0.84 CAPN1 (0.58) CCR1ACECAPN1
SCHEMBL5711242 0.82 CCR1 (0.50) CCR1ACECAPN1
SCHEMBL5711237 0.82 ELANE (0.49) ELANE
SCHEMBL7664392 0.81 ELANE (0.47) CCR1ELANE
SCHEMBL5711416 0.79 PREP (0.51) ELANEACE
SCHEMBL7963876 0.79 PREP (0.51) ELANEACE
SCHEMBL5711277 0.79 CAPN1 (0.48) CCR1ACECAPN1
SCHEMBL5711235 0.78 ACE (0.52) CCR1ACE
SCHEMBL5711178 0.78 ACE (0.56) CCR1ACE
SCHEMBL7665844 0.78 ACE (0.47) ACECAPN1

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 2 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