SCHEMBL12809671

SCHEMBL12809671

C=C(C)NCC(=O)CCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR3 O14843 3/20 0.35
CTSD P07339 1/20 0.34
TSHR P16473 1/20 0.33
CASP2 P42575 1/20 0.33
SOAT1 P35610 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.30

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
SCHEMBL11168910 0.81 SOAT1 (0.46) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL23354398 0.76 HDAC3 (0.43) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL21340423 0.76 CASP2 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL21340132 0.74 MEN1 (0.46) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL10935755 0.73
SCHEMBL13231078 0.72
SCHEMBL15429197 0.71 MCL1 (0.45) CTSDTSHRCASP2FAAH
SCHEMBL25773942 0.71 TDP1 (0.38) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL8205191 0.71 SOAT1 (0.35) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL10391331 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060594-B1 Method for producing polymer UNIV HOKKAIDO NAT UNIV CORP (JP) 2011-03-09 EP disclosed
US-20090226988-A1 Method for producing polymer NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY 2009-09-10 US disclosed