SCHEMBL5801342

SCHEMBL5801342

Cc1c(C(C)C(=O)OC2CCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
HSD11B1 P28845 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL5796692 0.98 PTGS2 (0.37) PTGS2HSD11B1CYP19A1MEN1KMT2A
SCHEMBL5822558 0.93 PTGS2 (0.34) PTGS2CYP19A1MGLL
SCHEMBL5559471 0.93 PTGS2 (0.42) PTGS2AKR1C3AKR1C2
SCHEMBL5801005 0.91 PTGS2 (0.44) PTGS2CYP19A1AKR1C3AKR1C2
SCHEMBL5800837 0.91 L3MBTL1 (0.37) PTGS2HSD11B1MGLLALDH1A1
SCHEMBL5559153 0.90 TSHR (0.36) PTGS2HSD11B1CYP19A1KMT2AALDH1A1
SCHEMBL5554521 0.90 LMNA (0.38) HSD11B1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL5558388 0.89 PTGS2 (0.35) PTGS2HSD11B1CYP19A1MEN1KMT2A
SCHEMBL5798160 0.89 L3MBTL1 (0.37) PTGS2HSD11B1CYP19A1MGLLALDH1A1
SCHEMBL5797664 0.88 LMNA (0.38) PTGS2HSD11B1CYP19A1MEN1KMT2A

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