SCHEMBL5698105

SCHEMBL5698105

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
ACE P12821 5/20 0.33
HRH3 Q9Y5N1 1/20 0.33
IDO1 P14902 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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 0.78 ACE (0.39) ACE
SCHEMBL7342204 0.77
SCHEMBL5698147 0.77 ACE (0.39) ACEALDH1A1L3MBTL1
SCHEMBL5635258 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4452654 0.71
SCHEMBL11435272 0.71 DDB1 (0.41) KMT2AALDH1A1L3MBTL1
SCHEMBL11228772 0.70 SLC6A2 (0.34) LMNAALDH1A1
SCHEMBL5698100 0.69 ACE (0.40) ACELMNAALDH1A1
SCHEMBL376160 0.68 AKT1 (0.36) L3MBTL1
SCHEMBL7313309 0.68 FFAR4 (0.38)

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