SCHEMBL7562032

SCHEMBL7562032

CC(=CNC=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SLC15A2 Q16348 1/20 0.42
PHF8 Q9UPP1 7/20 0.41
KDM2A Q9Y2K7 7/20 0.41
EGLN1 Q9GZT9 5/20 0.41
KDM4E B2RXH2 4/20 0.41
KDM5C P41229 4/20 0.41
KDM6B O15054 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
FOLH1 Q04609 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
IMPDH2 P12268 7/20 0.33
ADRA1A P35348 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL6936921 0.71
SCHEMBL6721798 0.71
Hydrochloric Acid SCHEMBL10640359 0.69 LMNA (0.52) LMNASLC15A2PHF8KDM2AEGLN1
Hydrochloric Acid SCHEMBL10640365 0.69 LMNA (0.52) LMNASLC15A2PHF8KDM2AEGLN1
Succinic Acid SCHEMBL5498204 0.68 LMNA (0.58) LMNASLC15A2PHF8KDM2AEGLN1
SCHEMBL11849463 0.67 KDM4E (0.58) LMNASLC15A2PHF8KDM2AEGLN1
SCHEMBL5079179 0.67
SCHEMBL11240416 0.67
SCHEMBL11240436 0.67
SCHEMBL11849467 0.67 KDM4E (0.58) LMNASLC15A2PHF8KDM2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194443-A1 CYSTEINYL PROTEASE INHIBITORS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2000078794-A1 CYSTEINYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2000-12-28 WO disclosed