SCHEMBL5800478

SCHEMBL5800478

Cc1c(C(C)C(=O)OC(C)(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
PTGS2 P35354 1/20 0.31
HSD11B1 P28845 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
SCHEMBL5822573 0.94 APP (0.37) APPPTGS2
SCHEMBL5555390 0.90 APP (0.40) APPPTGS2
SCHEMBL5812636 0.90 APP (0.38) APPPTGS2
SCHEMBL5799882 0.90 TSHR (0.39) TSHRLMNAHPGDPTGS2
SCHEMBL5797833 0.90 PTGS2 (0.34) TSHRLMNAHPGDPTGS2HSD11B1
SCHEMBL5799881 0.90 TSHR (0.39) TSHRLMNAHPGDPTGS2
SCHEMBL5797831 0.90 PTGS2 (0.34) TSHRLMNAHPGDPTGS2HSD11B1
SCHEMBL5808521 0.89 APP (0.37) APPTSHRHPGDPTGS2
SCHEMBL5554159 0.87 PSEN1 (0.38) APPTSHRHPGDPTGS2
SCHEMBL5554154 0.87 PSEN1 (0.38) APPTSHRHPGDPTGS2

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