SCHEMBL361586

SCHEMBL361586

CCC[S+]([O-])CCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CES1 P23141 7/20 0.36
CES2 O00748 6/20 0.36
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
CTSD P07339 1/20 0.30
CA1 P00915 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
SCHEMBL9323454 0.79 FFAR3 (0.48) MEN1KMT2ACES1CES2FFAR3
SCHEMBL11251695 0.77 CES1 (0.36) CES1CES2FFAR3HDAC3HDAC1
SCHEMBL4733808 0.77 FAAH (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL4782314 0.77 FAAH (0.55) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL197237 0.74
SCHEMBL8310114 0.73
SCHEMBL19994140 0.72
SCHEMBL11468194 0.71 TDP1 (0.39) CES1CES2KDM4ECA1
SCHEMBL11251711 0.70
Butyramide SCHEMBL5681 0.68

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-2593424-A1 NOVEL ARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES Medeia Therapeutics Ltd (FI) 2013-05-22 EP claimed
WO-2012007644-A1 NOVEL ARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES MEDEIA THERAPEUTICS LTD (FI) 2012-01-19 WO claimed
EP-2593424-A1 NOVEL ARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES Medeia Therapeutics Ltd (FI) 2013-05-22 EP disclosed
WO-2012007644-A1 NOVEL ARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES MEDEIA THERAPEUTICS LTD (FI) 2012-01-19 WO disclosed