SCHEMBL5711235

SCHEMBL5711235

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.52
CCR1 P32246 6/20 0.52
AGTR2 P50052 1/20 0.44
CMA1 P23946 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PIN1 Q13526 1/20 0.40
XIAP P98170 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
SCHEMBL5711242 0.89 CCR1 (0.50) ACECCR1
SCHEMBL5711206 0.85 CMA1 (0.51) ACECCR1CMA1
SCHEMBL7660638 0.84 CCR1 (0.46) ACECCR1CMA1PIN1XIAP
SCHEMBL5711229 0.82 CAPN1 (0.58) ACECCR1
SCHEMBL7665844 0.82 ACE (0.47) ACEAGTR2
SCHEMBL18619614 0.82 ACE (0.59) ACECCR1CMA1
SCHEMBL20484547 0.82 ACE (0.59) ACECCR1CMA1
SCHEMBL7372924 0.81 SMN1; SMN2 (0.46) CCR1PIN1XIAP
SCHEMBL7664524 0.78 CCR1 (0.52) CCR1AGTR2
SCHEMBL5711285 0.78 CCR1 (0.50) ACECCR1

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