SCHEMBL5807770

SCHEMBL5807770

CCC(C)OC(=O)C(C)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ELANE P08246 2/20 0.37
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5560746 0.92 ELANE (0.37) LMNAELANEMEN1KMT2AALDH1A1
SCHEMBL5801018 0.91 LMNA (0.38) LMNAELANEADRB2ADRB1ADRB3
SCHEMBL5801021 0.91 LMNA (0.38) LMNAELANEADRB2ADRB1ADRB3
SCHEMBL5800314 0.89 PTGS2 (0.32) AKR1C3AKR1C2MEN1KMT2AALDH1A1
SCHEMBL5797107 0.88 LMNA (0.40) LMNAELANEADRB2ADRB1ADRB3
SCHEMBL5798904 0.88 TSHR (0.35) LMNATSHRMAPTKMT2AALDH1A1
SCHEMBL5822046 0.87 PTGS2 (0.39) AKR1C3AKR1C2
SCHEMBL5796727 0.87 LMNA (0.39) LMNAELANEADRB2ADRB1ADRB3
SCHEMBL5796729 0.87 LMNA (0.39) LMNAELANEADRB2ADRB1ADRB3
SCHEMBL5799942 0.86 LMNA (0.37) LMNAELANEADRB2ADRB1ADRB3

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