SCHEMBL5800291

SCHEMBL5800291

Cc1c(C(C)C(=O)OC2CCC2)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.39
PIK3CD O00329 1/20 0.38
MEN1 O00255 2/20 0.37
ELANE P08246 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP3A4 P08684 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ADRB2 P07550 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 0.91 L3MBTL1 (0.38) ELANEHSD11B1ALDH1A1
SCHEMBL5800966 0.90 PTGS2 (0.38) ELANEHSD11B1ALDH1A1KDM4E
SCHEMBL5820012 0.89 PTGS2 (0.36) KMT2AMEN1AKR1C3AKR1C2HSD11B1
SCHEMBL5800961 0.88 LMNA (0.40) LMNAKMT2APIK3CDMEN1ELANE
SCHEMBL5798472 0.87 PTGS2 (0.38) KMT2AMEN1HSD11B1ALDH1A1
SCHEMBL5797314 0.87 TSHR (0.37) LMNAAKR1C3AKR1C2SMN1; SMN2HSD11B1
SCHEMBL5800223 0.86 LMNA (0.40) LMNAKMT2APIK3CDMEN1ELANE
SCHEMBL5800883 0.86 PTGS2 (0.45) AKR1C3AKR1C2
SCHEMBL5554521 0.86 LMNA (0.38) LMNAKMT2APIK3CDMEN1ELANE
SCHEMBL5797355 0.85 LMNA (0.46) LMNAKMT2APIK3CDELANEAKR1C3

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