SCHEMBL8545125

SCHEMBL8545125

CNC(=O)C(CC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL8543101 0.99 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8545816 0.85 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL11518684 0.85 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8550542 0.84 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL8813396 0.78 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8815575 0.76 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8816107 0.76 L3MBTL1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL8814626 0.75 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8812987 0.75 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8814480 0.74 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed