SCHEMBL5698100

SCHEMBL5698100

CSc1ccc(CS[C@]2(C(=O)OC(=O)[C@H](C)CS)CCCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.40
ALDH1A1 P00352 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
LMNA P02545 1/20 0.30
ACACB O00763 1/20 0.30
MAPK1 P28482 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 0.89 ACE (0.39) ACE
SCHEMBL5698079 0.89 ACE (0.39) ACE
SCHEMBL5698086 0.87 ACE (0.41) ACESMN1; SMN2LMNA
SCHEMBL7940360 0.86 ACE (0.34) ACEALDH1A1SMN1; SMN2
SCHEMBL5698248 0.85 ACE (0.46) ACEALDH1A1SMN1; SMN2
SCHEMBL8027389 0.85 SPHK1 (0.35) ACE
SCHEMBL5698134 0.85 ACE (0.46) ACEALDH1A1SMN1; SMN2
SCHEMBL5698108 0.80 ACE (0.39) ACEALDH1A1
SCHEMBL5698147 0.79 ACE (0.39) ACEALDH1A1
SCHEMBL5698090 0.70 ACE (0.38) ACESMN1; SMN2

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