SCHEMBL6474121

SCHEMBL6474121

O=C(O)C(=CO)C1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD11B1 P28845 3/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.33
NOS2 P35228 1/20 0.33
RECQL P46063 1/20 0.33
SRD5A2 P31213 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
HSD11B2 P80365 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL5698396 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8136015 0.87
SCHEMBL8136010 0.87
SCHEMBL2467390 0.81 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2007012 0.81 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29178565 0.81 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1794601 0.79 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL164962 0.79 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5333675 0.79 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL7159243 0.79 GRIK1 (0.44) CES2CES1HDAC8HDAC6TSHR

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
WO-2005016983-A1 COATING SYSTEM CONTAINING (METH)ACRYLATE SIKA TECHNOLOGY AG (CH) 2005-02-24 WO disclosed
EP-0037314-B2 N-SUBSTITUTED CARBAMOYLOXY ALKANOYLOXYHYDROCARBYL ACRYLATE ESTERS UNION CARBIDE CORPORATION (US) 1988-02-10 EP disclosed
EP-0037314-B1 N-SUBSTITUTED CARBAMOYLOXY ALKANOYLOXYHYDROCARBYL ACRYLATE ESTERS UNION CARBIDE CORPORATION (US) 1984-02-15 EP disclosed
EP-0037314-A1 N-substituted carbamoyloxy alkanoyloxyhydrocarbyl acrylate esters UNION CARBIDE CORPORATION (US) 1981-10-07 EP disclosed