SCHEMBL13804381

SCHEMBL13804381

CCOC(=O)[C@@H]1CCCN(CC)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
ALDH1A1 P00352 10/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL8438204 1.00 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL14874211 1.00 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
Hydrochloric Acid SCHEMBL28558936 0.98 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL26207326 0.90 MAPT (0.54) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL20502983 0.89 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL4513801 0.87 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL4517151 0.87 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL8872114 0.86 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL4514426 0.86 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2TDP1ATM
SCHEMBL7925245 0.86 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2TDP1ATM

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-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed