SCHEMBL5800757

SCHEMBL5800757

CCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PTGS1 P23219 3/20 0.43
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5800755 1.00 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5801127 0.94 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5801130 0.94 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5799056 0.93 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5799060 0.93 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5820127 0.92 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5797017 0.88 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5797015 0.88 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5799907 0.87 LMNA (0.42) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5799905 0.87 LMNA (0.42) PTGS2PTGS1AKR1C3AKR1C2LMNA

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