SCHEMBL6680472

SCHEMBL6680472

O=C(O)CC(=O)OCCCCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
FAAH O00519 2/20 0.43
NAAA Q02083 1/20 0.42
GAA P10253 1/20 0.40
CAMK2A Q9UQM7 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 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
SCHEMBL6681819 1.00 ACHE (0.46) ACHEGPR84FFAR1FFAR4FNTA
SCHEMBL10910388 1.00 ACHE (0.46) ACHEGPR84FFAR1FFAR4FNTA
SCHEMBL28203404 0.98 ACHE (0.43) ACHEGPR84FFAR1FFAR4FNTA
SCHEMBL6681551 0.91 CAMK2A (0.40) ACHEGPR84FFAR1FFAR4FNTA
SCHEMBL31040363 0.91 FAAH (0.48) ACHEFAAHNAAARAD52NPSR1
Nonanol SCHEMBL25263985 0.91 NAAA (0.58) ACHEFAAHNAAARAD52NPSR1
SCHEMBL6680478 0.89 ACHE (0.50) ACHEGPR84FFAR1FFAR4FAAH
SCHEMBL21143381 0.89 ACHE (0.50) ACHEGPR84FFAR1FFAR4FAAH
SCHEMBL6681823 0.89 ACHE (0.50) ACHEGPR84FFAR1FFAR4FAAH
SCHEMBL741560 0.89 ACHE (0.50) ACHEGPR84FFAR1FFAR4FAAH

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
EP-0970137-B9 COATING, ADHESIVE AND SEALANT COMPOSITIONS INT COATINGS LTD (GB) 2004-09-15 EP disclosed
US-6521716-B1 Coating, adhesive and sealant compositions AKZO NOBEL N.V. (NL) 2003-02-18 US disclosed
EP-0970137-B1 COATING, ADHESIVE AND SEALANT COMPOSITIONS INT COATINGS LTD (GB) 2002-06-12 EP disclosed
EP-0970137-A1 COATING, ADHESIVE AND SEALANT COMPOSITIONS International Coatings Limited (GB) 2000-01-12 EP disclosed
WO-1998041561-A1 COATING, ADHESIVE AND SEALANT COMPOSITIONS INTERNATIONAL COATINGS LIMITED (GB) 1998-09-24 WO disclosed