SCHEMBL4456045

SCHEMBL4456045

CCC1(CC)CNC(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD1 P21728 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16882826 0.82 SIRT2 (0.43)
SCHEMBL2284513 0.76
SCHEMBL16889120 0.76
SCHEMBL4454355 0.76
SCHEMBL20355422 0.73 PDE4B (0.30) PDE4BPDE4D
SCHEMBL2077467 0.72 CHRNA7 (0.32) CHRNA7
SCHEMBL20355342 0.71
SCHEMBL21136842 0.71 CHRNA7 (0.31) CHRNA7PDE4BPDE4D
SCHEMBL519126 0.69
SCHEMBL7307898 0.69

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-20090184062-A1 METHOD FOR INHIBITING BIOFILM GROWTH PPG INDUSTRIES OHIO, INC. (US) 2009-07-23 US disclosed