SCHEMBL5596872

SCHEMBL5596872

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDF Q9HBH1 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
TET2 Q6N021 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL5597126 0.96 CA2 (0.47) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL2250569 0.92 CA2 (0.50) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL1018592 0.92 CA2 (0.47) CA2CA1HSPD1BLMHSPE1
SCHEMBL743473 0.92 CA2 (0.50) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL5597137 0.82 CA2 (0.44) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL3742437 0.77 CA2 (0.47) CA2MAPK1HSPD1BLMHSPE1
Lactic Acid SCHEMBL5613952 0.77 CA2 (0.43) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL8468710 0.77 PRSS1 (0.45) CA2MAPK1ALDH1A1CYP3A4
SCHEMBL20472231 0.76 CA2 (0.48) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL16162181 0.76 GRIK1 (0.49) CA2SLC1A2SLC1A1ALDH1A1HSPD1

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-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-1796716-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2007-06-20 EP disclosed
EP-1787516-A1 Sprout inhibiting composition Agrichem B.V. (NL) 2007-05-23 EP disclosed
WO-2006020891-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-02-23 WO disclosed