SCHEMBL3249447

SCHEMBL3249447

COc1ccc(N(Cc2cnco2)c2cccc(C(=O)O)c2)cc1OC1CCC1.COc1ccc(N(Cc2cncs2)c2ccc(C(=O)O)cc2)cc1SC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.41
PDE4A P27815 9/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
LTC4S Q16873 1/20 0.33
PDE5A O76074 1/20 0.33
IMPDH2 P12268 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
SCHEMBL3249453 0.94 PDE4B (0.34) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL3201072 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DLPAR1
SCHEMBL3118118 0.85 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3131319 0.84 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DLPAR1
SCHEMBL3209523 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DLPAR1
SCHEMBL3117980 0.82 PDE4D (0.53) PDE4BPDE4APDE4CPDE4DLPAR1
SCHEMBL3203543 0.81 PDE4D (0.47) PDE4BPDE4APDE4CPDE4DLPAR1
SCHEMBL3126139 0.81 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DLPAR1
SCHEMBL3213634 0.80 CA12 (0.35)
SCHEMBL3202535 0.78 PDE4D (0.49) PDE4BPDE4APDE4CPDE4DLTC4S

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed