SCHEMBL6680478

SCHEMBL6680478

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.50
FAAH O00519 2/20 0.47
NAAA Q02083 1/20 0.46
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX1 P07099 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL21143381 1.00 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL741560 1.00 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL6681823 1.00 ACHE (0.50) ACHEFAAHNAAAGAAMGAM
SCHEMBL822176 0.97 ACHE (0.47) ACHEFAAHNAAAGAAMGAM
SCHEMBL6681554 0.90 GAA (0.43) ACHEFAAHNAAAGAAMGAM
SCHEMBL741589 0.89 ACHE (0.47) ACHEFAAHNAAAGAAMGAM
SCHEMBL743412 0.89 ACHE (0.47) ACHEFAAHNAAAGAAMGAM
SCHEMBL6680472 0.89 ACHE (0.46) ACHEFAAHNAAAGAARAD52
SCHEMBL6681819 0.89 ACHE (0.46) ACHEFAAHNAAAGAARAD52
SCHEMBL10910388 0.89 ACHE (0.46) ACHEFAAHNAAAGAARAD52

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