SCHEMBL5698147

SCHEMBL5698147

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.39
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FKBP1A P62942 1/20 0.30

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
SCHEMBL5698075 0.90 ACE (0.39) ACE
SCHEMBL5698079 0.90 ACE (0.39) ACE
SCHEMBL7940360 0.82 ACE (0.34) ACEALDH1A1
SCHEMBL8027389 0.80 SPHK1 (0.35) ACE
SCHEMBL5698100 0.79 ACE (0.40) ACEALDH1A1
SCHEMBL5698086 0.78 ACE (0.41) ACE
SCHEMBL5698105 0.77 RXRA (0.33) ACEALDH1A1L3MBTL1
SCHEMBL5698248 0.76 ACE (0.46) ACEALDH1A1
SCHEMBL5698134 0.76 ACE (0.46) ACEALDH1A1
SCHEMBL5698108 0.75 ACE (0.39) ACEALDH1A1

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-0979817-B1 LEUKOTRIENE A4 HYDROLAZE INHIBITORS SANTEN PHARMACEUTICAL CO LTD (JP) 2006-07-26 EP disclosed
EP-0979817-A1 LEUKOTRIENE A 4? HYDROLAZE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-02-16 EP disclosed