SCHEMBL5800993

SCHEMBL5800993

Cc1c(C(C)C(=O)OC2CCCC2)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PDE4B Q07343 1/20 0.36
HSD11B1 P28845 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP19A1 P11511 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
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL5819926 0.98 L3MBTL1 (0.37) PTGS2L3MBTL1PDE4BHSD11B1CNR1
SCHEMBL5797992 0.91 LMNA (0.39) HSD11B1ALDH1A1KDM4ECYP19A1CHRNB2
SCHEMBL5798160 0.90 L3MBTL1 (0.37) PTGS2L3MBTL1PDE4BHSD11B1CNR1
SCHEMBL5822711 0.90 LMNA (0.39) HSD11B1ALDH1A1KDM4ECHRNB2SLC6A2
SCHEMBL5798701 0.90 PTGS2 (0.45) PTGS2CYP19A1
SCHEMBL5800554 0.89 PTGS2 (0.38) PTGS2HSD11B1ALDH1A1CYP19A1SLC6A3
SCHEMBL5560260 0.89 PTGS2 (0.37) PTGS2HSD11B1ALDH1A1CYP19A1
SCHEMBL5819680 0.88 PTGS2 (0.37) PTGS2CYP19A1
SCHEMBL5800837 0.88 L3MBTL1 (0.37) PTGS2L3MBTL1PDE4BHSD11B1CNR1
SCHEMBL5559333 0.88 PTGS2 (0.43) PTGS2

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