SCHEMBL5800966

SCHEMBL5800966

Cc1c(C(C)C(=O)OC2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MGLL Q99685 4/20 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
ELANE P08246 1/20 0.35
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL5799094 0.98 L3MBTL1 (0.38) PTGS2L3MBTL1MGLLPDE4BHSD11B1
SCHEMBL5797074 0.90 PTGS2 (0.47) PTGS2
SCHEMBL5800291 0.90 LMNA (0.39) HSD11B1ELANEALDH1A1KDM4E
SCHEMBL5798472 0.89 PTGS2 (0.38) PTGS2MGLLHSD11B1ALDH1A1
SCHEMBL5554435 0.89 PTGS2 (0.38) PTGS2MGLLHSD11B1
SCHEMBL5822590 0.89 PTGS2 (0.38) PTGS2MGLL
SCHEMBL5800883 0.89 PTGS2 (0.45) PTGS2
SCHEMBL5820012 0.88 PTGS2 (0.36) PTGS2MGLLHSD11B1ALDH1A1
SCHEMBL5798160 0.87 L3MBTL1 (0.37) PTGS2L3MBTL1MGLLPDE4BHSD11B1
SCHEMBL5797314 0.87 TSHR (0.37) PTGS2MGLLHSD11B1ALDH1A1

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