SCHEMBL3717217

SCHEMBL3717217

CCOc1ccc(Oc2ccc3cc(CC=O)ccc3n2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CSF1R P07333 1/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
PPARG P37231 1/20 0.33
SCN7A Q01118 2/20 0.33
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3721301 0.93 PPARG (0.35) LMNAMAPTALDH1A1HPGDGAA
SCHEMBL3721410 0.91 MAPT (0.36) LMNAMAPTALDH1A1GAATDP1
SCHEMBL3716745 0.89 XDH (0.35) MAPTALDH1A1SCN7AKCNH2SCN5A
SCHEMBL3716838 0.87 ACACB (0.33) MAPTGAASCN7AKCNH2SCN5A
SCHEMBL3721614 0.87 ACACB (0.36) MAPTALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL3727015 0.85 PPARG (0.35) PPARGSCN7AKCNH2SCN9APDE4B
SCHEMBL3726780 0.85 PPARG (0.36) LMNAMAPTALDH1A1HPGDGAA
SCHEMBL3726083 0.85 GLA (0.39) LMNACSF1RMAPTHPGDTDP1
SCHEMBL3719602 0.83 SCN7A (0.34) HPGDPPARGSCN7AKCNH2SCN9A
SCHEMBL3719552 0.82 PDE3B (0.34) LMNAMAPTALDH1A1HPGDHTT

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed