SCHEMBL9625653

SCHEMBL9625653

CCCCCC(C)(C)OOC(C)(CC(=O)OCC)OOC(C)(C)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
DGKA P23743 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
DNM1 Q05193 1/20 0.32
HTT P42858 1/20 0.32

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
Dodecane SCHEMBL12471573 0.87 NAAA (0.41) MEN1MAPTKMT2AATML3MBTL1
Dodecane SCHEMBL12471509 0.83 NAAA (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL24168 0.81 GAA (0.41) GAAMGAMSIMGAM2TRPA1
SCHEMBL20678556 0.79 NAAA (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL9717600 0.78 GAA (0.39) GAAMGAMSIMGAM2TRPA1
SCHEMBL9625650 0.78 GAA (0.39) GAAMGAMSIMGAM2TRPA1
SCHEMBL9311001 0.78 FFAR1 (0.45) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL23007 0.77 GAA (0.44) GAAMGAMSIMGAM2TRPA1
SCHEMBL1424899 0.77 NAAA (0.39) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL1469705 0.77 GAA (0.38) GAAMGAMSIMGAM2TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273090-B1 SOLUTION POLYMERIZATION OF ACRYLIC ACID DERIVED MONOMERS USING TERTIARY ALKYL( C5)-HYDROPEROXIDES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-03-18 EP disclosed
US-4777230-A HIGH SOLID COATINGS PENNWALT CORPORATION (US) 1988-10-11 US disclosed
EP-0273090-A1 Solution polymerization of acrylic acid derived monomers using tertiary alkyl( C5)-hydroperoxides ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1988-07-06 EP disclosed
US-3950432-A Di- and tetra-(peroxy)ketals and acetals and improved curing and polymerizing process employing same PENNWALT CORPORATION (US) 1976-04-13 US disclosed