SCHEMBL11048580

SCHEMBL11048580

CC(=O)OC1CC(=O)N(c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.57
ALOX5 P09917 2/20 0.57
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 9/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.46
GFER P55789 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADAM17 P78536 1/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL3593084 0.75 ALDH1A1 (0.55) MT-CO2ALOX5GAALMNAKDM4E
SCHEMBL9636719 0.75 ALDH1A1 (0.55) MT-CO2ALOX5GAALMNAKDM4E
SCHEMBL7758607 0.74 KDM4E (0.40) MT-CO2ALOX5KDM4EALDH1A1SMN1; SMN2
SCHEMBL4567677 0.74 HTT (0.52) MT-CO2ALOX5GAALMNAKDM4E
SCHEMBL9654949 0.74 GAA (0.50) MT-CO2ALOX5GAALMNAKDM4E
SCHEMBL3563708 0.73 ALDH1A1 (0.43) ALDH1A1HPGDPOLB
SCHEMBL5691873 0.72 MT-CO2 (0.56) MT-CO2ALOX5GAALMNAKDM4E
SCHEMBL8530088 0.72 MT-CO2 (0.55) MT-CO2ALOX5GAALMNAKDM4E
SCHEMBL3562356 0.72 POLB (0.37) ALOX5POLB
SCHEMBL8080652 0.72 POLB (0.37) ALOX5POLB

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-4443436-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-04-17 US disclosed