SCHEMBL3721143

SCHEMBL3721143

CC(=O)c1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.51
PARP10 Q53GL7 6/20 0.50
PARP15 Q460N3 5/20 0.50
PARP2 Q9UGN5 2/20 0.45
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACACB O00763 2/20 0.42
KDM2B Q8NHM5 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACACA Q13085 1/20 0.40
CHEK2 O96017 2/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL3719578 0.95 PDE4B (0.53) PDE4BPARP10PARP15PARP2SCN7A
SCHEMBL3721926 0.88 PDE4B (0.44) PDE4BPARP10PARP15PARP2ACACB
SCHEMBL3726878 0.87 PDE4B (0.48) PDE4BPARP10PARP15SCN7AKCNH2
SCHEMBL3719600 0.87 PDE4B (0.48) PDE4BPARP10PARP15SCN7AKCNH2
SCHEMBL3721101 0.87 PDE4B (0.44) PDE4BPARP10PARP15PARP2ACACB
SCHEMBL3724232 0.82 PDE4B (0.46) PDE4BPARP10PARP15PARP2ACACB
SCHEMBL3725384 0.82 PDE4B (0.50) PDE4BACACBKDM2BACACA
SCHEMBL3727011 0.82 PDE4B (0.50) PDE4BPARP10PARP15PARP2SCN7A
SCHEMBL3720427 0.82 ACACB (0.56) PDE4BPARP10PARP15PARP2ACACB
SCHEMBL3728782 0.81 ACACA (0.56) ACACBACACA

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