SCHEMBL7217664

SCHEMBL7217664

CCC(CC)C(=O)OCCCCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
NAAA Q02083 1/20 0.38
CPB2 Q96IY4 1/20 0.38
RARB P10826 1/20 0.37
EPHX1 P07099 1/20 0.36
MAPK1 P28482 1/20 0.35
ACHE P22303 3/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL29832739 1.00 CA2 (0.40) CA2CA1NAAACPB2RARB
SCHEMBL7224597 1.00 CA2 (0.40) CA2CA1NAAACPB2RARB
SCHEMBL7224184 1.00 CA2 (0.40) CA2CA1NAAACPB2RARB
SCHEMBL14839843 1.00 CA2 (0.40) CA2CA1NAAACPB2RARB
SCHEMBL7219186 0.98 CA2 (0.41) CA2CA1NAAACPB2RARB
SCHEMBL7217337 0.91 CA2 (0.44) CA2CA1NAAAEPHX1MAPK1
SCHEMBL7218188 0.91 CA2 (0.44) CA2CA1NAAAEPHX1MAPK1
SCHEMBL7217154 0.91 CA2 (0.44) CA2CA1NAAAEPHX1MAPK1
SCHEMBL2898891 0.90 CA2 (0.56) CA2CA1NAAAEPHX1MAPK1
SCHEMBL333236 0.90 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190477-C Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2005-02-23 CN disclosed
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
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN disclosed