SCHEMBL7472092

SCHEMBL7472092

CC(CN)CCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SLC15A1 P46059 2/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CDC25B P30305 1/20 0.43
TSHR P16473 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL7140669 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL19007858 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL25735491 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL21319327 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL13880234 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL28747000 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL24235719 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL7365728 0.84 SLC15A1 (0.57) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL22607077 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA
SCHEMBL4890742 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed