SCHEMBL5797664

SCHEMBL5797664

Cc1c(C(C)C(=O)OC2CCCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.38
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34
HSD11B1 P28845 1/20 0.34
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33
PTGS2 P35354 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
SCHEMBL5554521 0.98 LMNA (0.38) LMNAKMT2APIK3CDKDM4ETDP1
SCHEMBL5798160 0.92 L3MBTL1 (0.37) KDM4EALDH1A1CYP19A1HSD11B1CHRNB2
SCHEMBL5800837 0.91 L3MBTL1 (0.37) ALDH1A1HSD11B1CHRNB2SLC6A2CHRNB4
SCHEMBL5796692 0.90 PTGS2 (0.37) KMT2AMEN1ALDH1A1CYP19A1HSD11B1
SCHEMBL5797992 0.89 LMNA (0.39) LMNAKMT2APIK3CDKDM4ETDP1
SCHEMBL5559153 0.88 TSHR (0.36) LMNAKMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL5801342 0.88 PTGS2 (0.35) KMT2AMEN1ALDH1A1CYP19A1HSD11B1
SCHEMBL5801005 0.88 PTGS2 (0.44) SMN1; SMN2CYP19A1PTGS2
SCHEMBL5822711 0.87 LMNA (0.39) LMNAKMT2APIK3CDKDM4ETDP1
SCHEMBL5822558 0.86 PTGS2 (0.34) CYP19A1PTGS2

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