SCHEMBL7224583

SCHEMBL7224583

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL332766 0.93 CA2 (0.61) CA2CA1MAPK1
SCHEMBL7222917 0.92 CA2 (0.51) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7217141 0.92 CA2 (0.51) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7224081 0.92 CA2 (0.51) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7217405 0.92 CA2 (0.51) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL29875926 0.90 CA2 (0.44) CA2CA1ZDHHC7MAPTFAAH
SCHEMBL14809887 0.89 DGKA (0.53) CA2CA1MAPTNAAA
SCHEMBL1358944 0.88 CA2 (0.56) CA2CA1MAPK1NAAA
SCHEMBL333236 0.88 CA2 (0.56) CA2CA1MAPK1NAAA
SCHEMBL2898891 0.88 CA2 (0.56) CA2CA1MAPK1NAAA

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