SCHEMBL6445108

SCHEMBL6445108

CC(C)CCCc1c(C(=O)O)ccc(C(=O)O)c1CCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
RARB P10826 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36

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
SCHEMBL12477883 0.94 RARB (0.43) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL14989260 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL1438635 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL6445849 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL9239203 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL10817051 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL6443847 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL14835993 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL14989139 0.93 RARB (0.42) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL27208714 0.90 PPARA (0.50) GRIN2DGRIN2AGRIN2BGRIN2CRARB

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-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP claimed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed