SCHEMBL4238264

SCHEMBL4238264

COc1ccc(C2(C#N)CCC(O)CC2)c2cc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 7/20 0.36
▸ PDE4A P27815 6/20 0.36
▸ PDE4C Q08493 6/20 0.36
▸ PDE4D Q08499 6/20 0.36
▸ CECR2 Q9BXF3 1/20 0.34
▸ P2RX7 Q99572 6/20 0.33
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL4230852 0.83 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DCECR2
SCHEMBL6601910 0.74 LMNA (0.41) PDE4BPDE4APDE4CPDE4DABCB1
SCHEMBL6601911 0.74 LMNA (0.41) PDE4BPDE4APDE4CPDE4DABCB1
SCHEMBL6601913 0.74 LMNA (0.41) PDE4BPDE4APDE4CPDE4DABCB1
SCHEMBL4229923 0.74 — —
SCHEMBL8327534 0.71 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL13350327 0.71 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6867958 0.68 PDE4B (0.32) PDE4BPDE4APDE4CPDE4D
SCHEMBL6867957 0.68 PDE4B (0.32) PDE4BPDE4APDE4CPDE4D
SCHEMBL6867953 0.68 PDE4B (0.32) PDE4BPDE4APDE4CPDE4D

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-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
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