SCHEMBL27675853

SCHEMBL27675853

CCC(=O)CC.CCc1ccc(O)cc1OCCCCCCS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.45
CNR1 P21554 8/20 0.45
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL27694394 0.94 CNR2 (0.46) CNR2CNR1CYSLTR2CYSLTR1L3MBTL1
SCHEMBL27694385 0.90 CNR2 (0.41) CNR2CNR1KDM4EL3MBTL1
SCHEMBL27675852 0.75 NR1H4 (0.54) MEN1KMT2A
SCHEMBL9417894 0.73 LTB4R (0.55) MEN1KMT2A
SCHEMBL27675855 0.73 CNR2 (0.51) CNR2CNR1CYSLTR2CYSLTR1KDM4E
SCHEMBL27675857 0.73 CNR2 (0.48) CNR2CNR1KDM4EL3MBTL1
SCHEMBL27694393 0.73 CNR2 (0.46) CNR2CNR1CYSLTR2CYSLTR1KDM4E
SCHEMBL28763158 0.72 CNR2 (0.43) CNR2CNR1CYSLTR2CYSLTR1
SCHEMBL27694341 0.72 CNR2 (0.43) CNR2CNR1CYSLTR2CYSLTR1KDM4E
SCHEMBL27694416 0.71 CNR2 (0.41) CNR2CNR1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-88100650-A Anti-inflammatory agent 1988-10-19 CN claimed