SCHEMBL7224932

SCHEMBL7224932

CCCCCC(C)C(=O)OC(CC(C)C)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CTSK P43235 1/20 0.48
FAAH O00519 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
BIRC2 Q13490 2/20 0.39
LMNA P02545 3/20 0.38
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DAGLB Q8NCG7 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
ABHD16A O95870 1/20 0.37
LPL P06858 1/20 0.37
MAPT P10636 1/20 0.37
LIPC P11150 1/20 0.37
PNLIP P16233 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7225044 0.98 CA1 (0.47) CA1CTSKFAAHACE2ZDHHC7
SCHEMBL7217067 0.95 CTSK (0.53) CA1CTSKFAAHLMNAALDH1A1
SCHEMBL7217921 0.87 CTSK (0.44) CA1CTSKFAAHALDH1A1MEN1
SCHEMBL2897891 0.85 CA1 (0.52) CA1FAAHACE2ZDHHC7LMNA
SCHEMBL7219308 0.81 CA2 (0.50) CA1CTSKFAAHZDHHC7BIRC2
SCHEMBL7223143 0.81 CA1 (0.55) CA1FAAHACE2ZDHHC7LMNA
SCHEMBL4451983 0.81 ALDH1A1 (0.51) CA1FAAHACE2LMNAALDH1A1
SCHEMBL15294510 0.81 ALDH1A1 (0.51) CA1FAAHACE2LMNAALDH1A1
SCHEMBL7218183 0.79 LMNA (0.55) CA1FAAHACE2ZDHHC7LMNA
SCHEMBL28311582 0.79 LMNA (0.55) CA1FAAHACE2ZDHHC7LMNA

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