SCHEMBL5698108

SCHEMBL5698108

Cc1ccccc1CS[C@]1(C(=O)OC(=O)[C@H](C)CS)CCCN1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32

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 0.81 ACE (0.39) ACE
SCHEMBL5698079 0.81 ACE (0.39) ACE
SCHEMBL5698100 0.80 ACE (0.40) ACEALDH1A1
SCHEMBL5698086 0.79 ACE (0.41) ACE
SCHEMBL7940360 0.78 ACE (0.34) ACEALDH1A1HPGD
SCHEMBL5698134 0.77 ACE (0.46) ACEALDH1A1
SCHEMBL8027389 0.77 SPHK1 (0.35) ACE
SCHEMBL5698248 0.77 ACE (0.46) ACEALDH1A1
SCHEMBL5698147 0.75 ACE (0.39) ACEALDH1A1
SCHEMBL11228772 0.70 SLC6A2 (0.34) ALDH1A1POLB

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-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