SCHEMBL5158618

SCHEMBL5158618

CCCCCC(CC)C(C(=O)O)C(=O)c1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ACE2 Q9BYF1 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
GRIK1 P39086 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
GRIK2 Q13002 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
SCHEMBL5159964 0.77 SMN1; SMN2 (0.32) HCAR3
SCHEMBL5162386 0.77 GPR84 (0.33) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5158724 0.77 LMNA (0.43)
SCHEMBL5163156 0.77 GPR84 (0.33) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5160371 0.76 FAAH (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5160652 0.76 GPR84 (0.37) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5158154 0.75 GPR84 (0.34) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5162981 0.75 GPR84 (0.34) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5162482 0.75 NPC1 (0.35) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5163183 0.74 HRH3 (0.41)

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-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed