SCHEMBL7217652

SCHEMBL7217652

CCCCC(CC)C(=O)OC(C)CC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 4/20 0.63
MAPK1 P28482 1/20 0.53
FAAH O00519 2/20 0.44
ATM Q13315 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7217611 0.93 CA2 (0.55) CA2CA1MAPK1FAAHLMNA
SCHEMBL23581684 0.92 CA2 (0.63) CA2CA1MAPK1FAAHATM
SCHEMBL392471 0.89 CA2 (0.59) CA2CA1MAPK1FAAHATM
SCHEMBL7219198 0.88 CA2 (0.47) CA2CA1MAPK1FAAHNPSR1
SCHEMBL1377605 0.87 FAAH (0.59) CA2CA1MAPK1FAAHCNR1
SCHEMBL7223074 0.87 FAAH (0.59) CA2CA1MAPK1FAAHCNR1
SCHEMBL246299 0.87 FAAH (0.59) CA2CA1MAPK1FAAHCNR1
SCHEMBL149487 0.87 CA2 (0.58) CA2CA1MAPK1FAAHATM
SCHEMBL1834730 0.87 CA2 (0.58) CA2CA1MAPK1FAAHATM
SCHEMBL28627724 0.87 CA2 (0.58) CA2CA1MAPK1FAAHATM

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 5 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 claimed
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 claimed
US-20160020003-A1 OXIDE SUPERCONDUCTOR COMPOSITION, OXIDE SUPERCONDUCTOR WIRE, AND PRODUCTION METHOD FOR OXIDE SUPERCONDUCTOR WIRE SWCC SHOWA CABLE SYSTEMS CO., LTD (JP) 2016-01-21 US 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