SCHEMBL5160652

SCHEMBL5160652

CCCCCC(CC)C(C(=O)O)C(=O)c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CNR2 P34972 1/20 0.34
FAAH O00519 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
SCHEMBL5158724 0.84 LMNA (0.43) CNR2
SCHEMBL5162482 0.80 NPC1 (0.35) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7027698 0.79 PRSS1 (0.44) MAPTMAPK1CNR2
SCHEMBL5160556 0.79 NAAA (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3033757 0.78 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5160371 0.78 FAAH (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5160445 0.78 LMNA (0.48) MAPT
SCHEMBL5158364 0.76 HCAR2 (0.36) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337303 0.76 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL338380 0.76 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD

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