SCHEMBL6154159

SCHEMBL6154159

CCCCCCC(C(=O)O)C(=O)CC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.57
FFAR1 O14842 2/20 0.57
MAPT P10636 1/20 0.55
LCK P06239 1/20 0.55
PPARD Q03181 1/20 0.55
ZDHHC20 Q5W0Z9 1/20 0.55
ZDHHC2 Q9UIJ5 1/20 0.55
ACE2 Q9BYF1 1/20 0.52
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL30550507 1.00 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29135796 0.91 CA2 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL269432 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL133518 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL144316 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL166745 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10481025 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337342 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL20641 0.86 GPR84 (0.67) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10481002 0.86 GPR84 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568679-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2005-08-31 EP disclosed
EP-1214315-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF Rephartox (NL) 2002-06-19 EP disclosed
WO-2001014370-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2001-03-01 WO disclosed