SCHEMBL7217405

SCHEMBL7217405

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.51
CA1 P00915 3/20 0.51
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
MAPT P10636 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL7217141 1.00 CA2 (0.51) CA2CA1NAAAEPHX1MAPK1
SCHEMBL7222917 1.00 CA2 (0.51) CA2CA1NAAAEPHX1MAPK1
SCHEMBL7224081 1.00 CA2 (0.51) CA2CA1NAAAEPHX1MAPK1
SCHEMBL7217151 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL865538 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL2898897 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL1358944 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL333236 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL8567093 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL2898891 0.97 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1

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