SCHEMBL3720069

SCHEMBL3720069

Cc1cc(Oc2nccs2)ccc1Oc1ccc2cc(CC=O)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PPARG P37231 2/20 0.33
SCN7A Q01118 3/20 0.32
KCNH2 Q12809 3/20 0.32
P2RX3 P56373 2/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SLC5A2 P31639 1/20 0.31
ALOX5 P09917 1/20 0.31
RAF1 P04049 1/20 0.31
MAP2K1 Q02750 1/20 0.31

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
SCHEMBL3719592 0.86 SLC5A2 (0.33) CHRM5HCRTR1HCRTR2SCN7AKCNH2
SCHEMBL3719881 0.83 MTNR1A (0.46) RAF1
SCHEMBL3720075 0.83 SCN9A (0.35) PPARGSCN7AKCNH2SCN5ASCN2A
SCHEMBL3717035 0.82 SCN7A (0.46) PPARGSCN7AKCNH2P2RX3SCN5A
SCHEMBL3720434 0.82 SCN7A (0.46) PPARGSCN7AKCNH2P2RX3SCN5A
SCHEMBL3720067 0.82 PDE4B (0.46) PPARGSCN7AKCNH2P2RX3SCN5A
SCHEMBL3720757 0.81 PPARG (0.38) PPARG
SCHEMBL3719589 0.81 MAPT (0.34) SCN7AKCNH2P2RX3SCN5ASCN2A
SCHEMBL3724297 0.80 ACACB (0.38) PPARG
SCHEMBL3724495 0.80 PDE3B (0.34) PPARG

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