SCHEMBL7659299

SCHEMBL7659299

COc1ccc(C2(C#N)CCC(C(=O)O)CC2)c2c1OCO2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.53
PDE4A P27815 14/20 0.53
PDE4C Q08493 14/20 0.53
PDE4D Q08499 14/20 0.53
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL7659290 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7659295 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6607854 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6607847 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4958570 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL29357646 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7654261 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7654256 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4957740 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6607325 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKMT2A

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
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed