SCHEMBL7567319

SCHEMBL7567319

CC(C)OS(=O)(=O)CCN1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 3/20 0.35
RORC P51449 1/20 0.34
TERT O14746 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 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
SCHEMBL21939483 0.86 PAOX (0.33) ALDH1A1POLBKDM4EKMT2ATP53
SCHEMBL6365195 0.84 CHRM2 (0.39) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL21939486 0.84 MAPT (0.37) CHRM2CHRM1ALDH1A1HTTKMT2A
SCHEMBL21939493 0.84 MAPT (0.40) CHRM2CHRM1ALDH1A1HTTKMT2A
SCHEMBL21939069 0.82 MAPT (0.42) ALDH1A1POLBHTTKMT2ATP53
SCHEMBL21939489 0.82 MAPT (0.42) ALDH1A1POLBHTTKMT2ATP53
SCHEMBL7618980 0.80 ALDH1A1 (0.42) CHRM2CHRM1ALDH1A1KDM4ELMNA
SCHEMBL21939487 0.79 GAA (0.31) ALDH1A1
SCHEMBL647080 0.79 ALDH1A1 (0.44) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL21939494 0.79 MEN1 (0.44) ALDH1A1KDM4EKMT2A

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-2002083938-A2 SCREENING METHODS FOR IDENTIFYING LIGANDS EMERALD BIOSTRUCTURES, INC. (US) 2002-10-24 WO disclosed