SCHEMBL7217823

SCHEMBL7217823

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
CA1 P00915 5/20 0.46
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
FDPS P14324 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 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
SCHEMBL7217737 0.94 CA1 (0.52) CA2CA1FAAHFDPSLMNA
SCHEMBL7218122 0.92 FAAH (0.54) CA1FAAHLMNA
SCHEMBL21538460 0.92 FAAH (0.54) CA1FAAHLMNA
SCHEMBL2988148 0.88 FAAH (0.40) CA2CA1FAAHCYP3A4TSHR
SCHEMBL2990052 0.88 FAAH (0.40) CA2CA1FAAHCYP3A4TSHR
SCHEMBL4739524 0.88 FAAH (0.40) CA2CA1FAAHCYP3A4TSHR
SCHEMBL18098112 0.85 FAAH (0.39) CA2CA1FAAHMAPT
SCHEMBL7223743 0.85 FAAH (0.63) CA2CA1FAAHALDH1A1LMNA
SCHEMBL18597111 0.84 FAAH (0.53) CA2CA1FAAHMAPK1CYP3A4
SCHEMBL6900329 0.83 LMNA (0.48) CA2CA1FAAHMAPK1CYP3A4

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