SCHEMBL1901759

SCHEMBL1901759

C=CCOCC(O)CNCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ADRB2 P07550 4/20 0.36
CYP2D6 P10635 2/20 0.35
USP2 O75604 1/20 0.34
HTR1A P08908 2/20 0.34
SLC22A1 O15245 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HTT P42858 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33

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
SCHEMBL11859084 0.94 CA1 (0.45) CA1CA2CA7KDM4EADRB2
SCHEMBL2849095 0.83 CA1 (0.53) CA1CA2CA7KDM4EADRB2
SCHEMBL2400387 0.82 CA1 (0.61) CA1CA2CA7KDM4EADRB2
SCHEMBL14647471 0.81 CA1 (0.52) CA1CA2CA7KDM4EADRB2
SCHEMBL692161 0.81 CA1 (0.52) CA1CA2CA7KDM4EADRB2
SCHEMBL13260773 0.81 CA1 (0.41) CA1CA2CA7KDM4EADRB2
SCHEMBL15184718 0.81 CA2 (0.47) CA1CA2CA7KDM4EADRB2
SCHEMBL13260840 0.79 CA1 (0.46) CA1CA2CA7KDM4EADRB2
SCHEMBL17055318 0.78 CA1 (0.52) CA1CA2CA7KDM4EADRB2
SCHEMBL11033621 0.78 CA1 (0.41) CA1CA2CA7KDM4EADRB2

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-2324069-B1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK ROEHM GMBH (DE) 2013-12-18 EP disclosed
US-20110136975-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK ROEHM GMBH (DE) 2011-06-09 US disclosed
EP-2324069-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING Evonik Röhm GmbH (DE) 2011-05-25 EP disclosed
WO-2010026118-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK RÖHM GMBH (DE) 2010-03-11 WO disclosed