SCHEMBL5800837

SCHEMBL5800837

Cc1c(C(C)C(=O)OC2CCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PDE4B Q07343 1/20 0.34
PTGS2 P35354 1/20 0.34
IDO1 P14902 1/20 0.34
GPR142 Q7Z601 1/20 0.34
GRM5 P41594 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MGLL Q99685 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 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
SCHEMBL5798160 0.98 L3MBTL1 (0.37) L3MBTL1HSD11B1ALDH1A1PDE4BPTGS2
SCHEMBL5554521 0.92 LMNA (0.38) HSD11B1ALDH1A1CHRNB2SLC6A2CHRNB4
SCHEMBL5797664 0.91 LMNA (0.38) HSD11B1ALDH1A1PTGS2CHRNB2SLC6A2
SCHEMBL5559471 0.91 PTGS2 (0.42) PTGS2
SCHEMBL5801342 0.91 PTGS2 (0.35) HSD11B1ALDH1A1PTGS2MGLL
SCHEMBL5819926 0.90 L3MBTL1 (0.37) L3MBTL1HSD11B1ALDH1A1PDE4BPTGS2
SCHEMBL5822558 0.89 PTGS2 (0.34) PTGS2MGLL
SCHEMBL5801005 0.89 PTGS2 (0.44) PTGS2
SCHEMBL5796692 0.89 PTGS2 (0.37) HSD11B1ALDH1A1PTGS2GRM5MGLL
SCHEMBL5800993 0.88 PTGS2 (0.37) L3MBTL1HSD11B1ALDH1A1PDE4BPTGS2

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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed