SCHEMBL5698086

SCHEMBL5698086

C[C@H](CS)C(=O)OC(=O)[C@@]1(SCc2ccc(C(C)(C)C)cc2)CCCN1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.41
EPHX1 P07099 4/20 0.35
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN9A Q15858 1/20 0.30
NAAA Q02083 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 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
SCHEMBL5698079 0.88 ACE (0.39) ACE
SCHEMBL5698075 0.88 ACE (0.39) ACE
SCHEMBL5698100 0.87 ACE (0.40) ACELMNASMN1; SMN2
SCHEMBL7940360 0.85 ACE (0.34) ACEMAPTSMN1; SMN2NAAANPC1
SCHEMBL5698248 0.84 ACE (0.46) ACEMAPTSMN1; SMN2NAAA
SCHEMBL5698134 0.84 ACE (0.46) ACEMAPTSMN1; SMN2NAAA
SCHEMBL8027389 0.84 SPHK1 (0.35) ACE
SCHEMBL5698108 0.79 ACE (0.39) ACE
SCHEMBL5698147 0.78 ACE (0.39) ACE
SCHEMBL5698090 0.69 ACE (0.38) ACESMN1; SMN2NAAAKMT2A

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