SCHEMBL28745708

SCHEMBL28745708

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

nearest known ligand 0.96

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 2/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL9234533 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL584465 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2369792 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2761229 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL9233424 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
Hexylitaconic Acid SCHEMBL9231241 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL9227679 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2597863 0.96 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
Calcium SCHEMBL2597860 0.96 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28441544 0.96 GPR84 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101190904-A Fatty acid synthetic enzyme inhibitor and medical preparation use thereof POISON MED INST PLA MED ACAD (CN) 2008-06-04 CN claimed
CN-1628929-A Use of 1-methyl-4-isopropyl-bicyclic [2,2,2] octene-2,3-dicarboxylic acid HARBIN INST COMMERCE (CN) 2005-06-22 CN claimed
CN-101190904-A Fatty acid synthetic enzyme inhibitor and medical preparation use thereof POISON MED INST PLA MED ACAD (CN) 2008-06-04 CN disclosed
CN-1308114-C Use of 1-methyl-4-isopropyl-bicyclic [2,2,2] octene-2,3-dicarboxylic acid HARBIN INST COMMERCE (CN) 2007-04-04 CN disclosed
CN-1308114-C Use of 1-methyl-4-isopropyl-bicyclic [2,2,2] octene-2,3-dicarboxylic acid HARBIN INST COMMERCE (CN) 2007-04-04 CN disclosed
CN-1628929-A Use of 1-methyl-4-isopropyl-bicyclic [2,2,2] octene-2,3-dicarboxylic acid HARBIN INST COMMERCE (CN) 2005-06-22 CN disclosed