SCHEMBL8629601

SCHEMBL8629601

COc1ccc(C(C(=O)O)C(C)C#N)c2[nH]c(C3CCCC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
ADORA3 P0DMS8 4/20 0.37
ADORA1 P30542 4/20 0.37
PDE2A O00408 2/20 0.35
ADORA2A P29274 2/20 0.33
PBK Q96KB5 3/20 0.32
PARP1 P09874 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
PTGDR Q13258 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL8629599 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1554160 0.76 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1554161 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA3
Hydrochloric Acid SCHEMBL8576071 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8627261 0.74 SMN1; SMN2 (0.42) ADORA2A
SCHEMBL8569992 0.73 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8576057 0.73 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8629605 0.73 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL2458459 0.72 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL1552957 0.71 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPBK

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed