SCHEMBL7219308

SCHEMBL7219308

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA1 P00915 3/20 0.50
CTSK P43235 1/20 0.44
BIRC2 Q13490 2/20 0.42
FAAH O00519 2/20 0.42
MAPK1 P28482 1/20 0.42
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
LMNA P02545 3/20 0.39
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL7224543 0.93 CA2 (0.58) CA2CA1CTSKBIRC2MAPK1
SCHEMBL7217293 0.86 CA2 (0.43) CA2CA1CTSKBIRC2MAPK1
SCHEMBL22471739 0.86 CA2 (0.56) CA2CA1FAAHMAPK1GRIK1
SCHEMBL2305289 0.85 CA2 (0.55) CA2CA1FAAHMAPK1GRIK1
SCHEMBL1490741 0.85 CA2 (0.59) CA2CA1FAAHMAPK1GRIK1
SCHEMBL2304371 0.85 CA2 (0.55) CA2CA1FAAHMAPK1GRIK1
SCHEMBL1274961 0.85 CA2 (0.59) CA2CA1FAAHMAPK1GRIK1
SCHEMBL535672 0.85 CA2 (0.59) CA2CA1FAAHMAPK1GRIK1
SCHEMBL28899012 0.85 CA2 (0.59) CA2CA1FAAHMAPK1GRIK1
SCHEMBL866148 0.85 CA2 (0.59) CA2CA1FAAHMAPK1GRIK1

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
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed