SCHEMBL6663357

SCHEMBL6663357

CCCCC(O)C(=O)OOC(=O)C(O)CCCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 1/20 0.50
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAAA Q02083 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6661452 0.85 CHRM1 (0.40) GPR84FFAR1CA2CA1TSHR
SCHEMBL27724226 0.84 GPR84 (0.48) GPR84FFAR1CA2CA1MAPK1
SCHEMBL149523 0.84 CA2 (0.61) GPR84FFAR1CA2CA1MAPK1
SCHEMBL309000 0.84 GPR84 (0.48) GPR84FFAR1CA2CA1MAPK1
SCHEMBL438579 0.84 GPR84 (0.48) GPR84FFAR1CA2CA1MAPK1
SCHEMBL7947554 0.84 CA2 (0.61) GPR84FFAR1CA2CA1MAPK1
SCHEMBL4717732 0.82 GPR84 (0.47) GPR84FFAR1CA2CA1MAPK1
SCHEMBL27873147 0.82 GPR84 (0.47) GPR84FFAR1CA2CA1MAPK1
Water SCHEMBL28120707 0.82 CA2 (0.59) GPR84FFAR1CA2CA1MAPK1
SCHEMBL3018221 0.82 ALDH1A1 (0.52) GPR84FFAR1CA2CA1TSHR

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-1220837-B1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL NV (NL) 2004-08-18 EP disclosed
US-20040049070-A1 Reacting a hydroperoxide or acyl hydroperoxide with a mixed anhydride having a -C(O)-O-C(O)-O- group to form a peracid or diacyl peroxide; OVERKAMP JOHANNES WILLIBRORDUS (NL) 2004-03-11 US disclosed
US-6610880-B1 Reacting with an organohydroperoxide under basic conditions to form peracids, peresters, diacylperoxides or their hydroxy derivatives; low cost; odorless; high yield AKZO NOBEL NV (NL) 2003-08-26 US disclosed
EP-1220837-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES Akzo Nobel N.V. (NL) 2002-07-10 EP disclosed
WO-2001027078-A1 PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES AKZO NOBEL N.V. (NL) 2001-04-19 WO disclosed