SCHEMBL3727015

SCHEMBL3727015

O=CCc1ccc2nc(Oc3ccc(OCC4CC4)c(Br)c3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.35
KCNH2 Q12809 6/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SCN7A Q01118 5/20 0.33
SCN9A Q15858 6/20 0.32
ACACA Q13085 1/20 0.32
ACACB O00763 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
SCHEMBL3719602 0.95 SCN7A (0.34) PPARGKCNH2SCN7ASCN9AACACB
SCHEMBL3725386 0.88 ACACB (0.39) PPARGACACAACACB
SCHEMBL3721103 0.87 PARP10 (0.37) PPARGACACAACACB
SCHEMBL3719580 0.86 ACACB (0.38) KCNH2SCN7AACACAACACB
SCHEMBL3717503 0.86 KCNH2 (0.36) PPARGKCNH2PDE4APDE4BPDE4C
SCHEMBL3717217 0.85 LMNA (0.36) PPARGKCNH2PDE4BSCN7ASCN9A
SCHEMBL3721301 0.85 PPARG (0.35) PPARGKCNH2PDE4BSCN7AACACB
SCHEMBL3726881 0.83 HPGD (0.40) KCNH2SCN7AACACAACACB
SCHEMBL3716745 0.83 XDH (0.35) KCNH2PDE4BSCN7ASCN9AACACB
SCHEMBL3720428 0.82 ACACB (0.47) PPARGACACAACACB

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