SCHEMBL5222826

SCHEMBL5222826

COc1ccc(C2CC(=O)N(CC(=O)Nc3ccccn3)C2)cc1OC1CCCC1.COc1ccc(CCNC(=O)CN2CC(c3ccc(OC)c(OC4CCCC4)c3)CC2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.55
PDE4B Q07343 11/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3545964 0.91 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL3543992 0.91 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3543220 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL3551371 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL3545640 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3549102 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL3551852 0.80 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL3550834 0.80 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL3545960 0.80 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL3551391 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed