SCHEMBL5597137

SCHEMBL5597137

CCCCC(C)CC(C)(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.44
MAPK1 P28482 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
MAPT P10636 1/20 0.39
CA1 P00915 6/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
CTSK P43235 1/20 0.36
PDF Q9HBH1 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
Lactic Acid SCHEMBL5613952 0.93 CA2 (0.43) CA2MAPK1ACE2MAPTCA1
SCHEMBL17560001 0.93 ACE2 (0.53) CA2ACE2MAPTCA1HSPD1
SCHEMBL1784692 0.85 CA2 (0.39) CA2MAPK1ACE2MAPTCA1
SCHEMBL5596872 0.82 CA2 (0.45) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL30582800 0.81 ACE2 (0.39) CA2ACE2MAPTCA1HSPD1
SCHEMBL30582778 0.80 ACE2 (0.41) CA2ACE2MAPTCA1HSPD1
SCHEMBL2250569 0.79 CA2 (0.50) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL7633381 0.79 CA2 (0.42) CA2MAPK1ACE2MAPTCA1
SCHEMBL5597126 0.79 CA2 (0.47) CA2MAPK1MAPTCA1SLC1A2
SCHEMBL743473 0.79 CA2 (0.50) CA2MAPK1CA1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787516-B1 Sprout inhibiting composition AGRICHEM BV (NL) 2013-10-23 EP claimed
EP-1787516-A1 Sprout inhibiting composition Agrichem B.V. (NL) 2007-05-23 EP claimed
EP-1787516-B1 Sprout inhibiting composition AGRICHEM BV (NL) 2013-10-23 EP disclosed
EP-1787516-A1 Sprout inhibiting composition Agrichem B.V. (NL) 2007-05-23 EP disclosed