SCHEMBL8771887

SCHEMBL8771887

CCC(=O)NC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
GAA P10253 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
DRD2 P14416 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL11046524 0.89 MAOB (0.39) MAOBGAAHDAC4HDAC6FLT3
SCHEMBL2594876 0.85 MAOB (0.49) MAOBMTNR1AMTNR1BGAAKDM4E
SCHEMBL4900433 0.85 GAA (0.48) MAOBMTNR1AMTNR1BGAAKDM4E
SCHEMBL26082900 0.84 MAOB (0.36) MAOBGAAHDAC4HDAC6FLT3
SCHEMBL228314 0.84 HDAC4 (0.38) MAOBMTNR1AMTNR1BGAAHDAC4
SCHEMBL4448627 0.84 MAOB (0.36) MAOBGAAHDAC4HDAC6FLT3
SCHEMBL13298035 0.82 SMN1; SMN2 (0.47) GAAHDAC6FLT3TYRO3MERTK
SCHEMBL10719860 0.80 GNAI3 (0.52) KMT2AMEN1MAPT
SCHEMBL8435486 0.80 GNAI3 (0.52) KMT2AMEN1MAPT
SCHEMBL9456416 0.80 EPHX2 (0.40) GAAHDAC4HDAC6KDM4EKMT2A

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-0608089-B1 Phenylalkanoic acid esters and their use as antioxidants SANKYO CO (JP) 1997-10-15 EP disclosed