SCHEMBL3718577

SCHEMBL3718577

CC(=O)c1ccc2nc(Oc3ccc(C(NC(=O)O)C4CC4)cc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
ALOX5 P09917 1/20 0.40
PDE2A O00408 4/20 0.39
AKT1 P31749 2/20 0.38
CDK2 P24941 1/20 0.38
SCN9A Q15858 8/20 0.38
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL3721626 0.86 ACACB (0.44)
SCHEMBL3722359 0.86 ALOX5 (0.42) PDE4BALOX5PDE2ASCN9A
SCHEMBL3721630 0.82 MTNR1A (0.47) ALOX5PDE2ASCN9AALDH1A1LMNA
SCHEMBL3722365 0.82 ALOX5 (0.38) ALOX5PDE2ASCN9A
SCHEMBL3724294 0.77 PDE4B (0.55) PDE4BSCN9ASCN7AKCNH2ALDH1A1
SCHEMBL3721431 0.76 PDE4B (0.53) PDE4BSCN9ASCN7AKCNH2ALDH1A1
SCHEMBL3722547 0.75 PDE4B (0.52) PDE4BALOX5SCN9ASCN7AKCNH2
SCHEMBL3719669 0.75 PDE4B (0.49) PDE4BALOX5SCN9ASCN7AKCNH2
SCHEMBL3719934 0.75 PDE4B (0.53) PDE4BSCN9ASCN7AKCNH2
SCHEMBL3719578 0.75 PDE4B (0.53) PDE4BSCN9ASCN7AKCNH2

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