SCHEMBL5698075

SCHEMBL5698075

CC(C)c1ccc(CS[C@]2(C(=O)OC(=O)[C@H](C)CS)CCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.39

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
SCHEMBL5698079 1.00 ACE (0.39) ACE
SCHEMBL5698147 0.90 ACE (0.39) ACE
SCHEMBL5698100 0.89 ACE (0.40) ACE
SCHEMBL5698086 0.88 ACE (0.41) ACE
SCHEMBL7940360 0.87 ACE (0.34) ACE
SCHEMBL5698248 0.85 ACE (0.46) ACE
SCHEMBL5698134 0.85 ACE (0.46) ACE
SCHEMBL8027389 0.85 SPHK1 (0.35) ACE
SCHEMBL5698108 0.81 ACE (0.39) ACE
SCHEMBL5698105 0.78 RXRA (0.33) ACE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979817-B1 LEUKOTRIENE A4 HYDROLAZE INHIBITORS SANTEN PHARMACEUTICAL CO LTD (JP) 2006-07-26 EP claimed
US-6242476-B1 Leukotriene A4 hydrolase inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US claimed
EP-0979817-A1 LEUKOTRIENE A 4? HYDROLAZE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-02-16 EP claimed
EP-0979817-B1 LEUKOTRIENE A4 HYDROLAZE INHIBITORS SANTEN PHARMACEUTICAL CO LTD (JP) 2006-07-26 EP disclosed
US-6242476-B1 Leukotriene A4 hydrolase inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-0979817-A1 LEUKOTRIENE A 4? HYDROLAZE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-02-16 EP disclosed