SCHEMBL8399135

SCHEMBL8399135

CCN(C(=O)C=NOC)c1ccccc1COc1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER4 P35408 4/20 0.35
PTGER3 P43115 4/20 0.35
PTGER2 P43116 4/20 0.35
PTGER1 P34995 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MAOB P27338 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 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
SCHEMBL8395408 0.89 CYP3A4 (0.43) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8395164 0.88 CYP3A4 (0.41) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8398969 0.86 MAPT (0.39) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL8398724 0.85 NISCH (0.38) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8399105 0.84 FFAR1 (0.39) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8395954 0.84 HIF1A (0.41) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8400198 0.84 TDP1 (0.40) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8400207 0.83 CYP3A4 (0.38) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8398948 0.83 LMNA (0.41) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL8398007 0.83 SMN1; SMN2 (0.39) CYP3A4LMNAKMT2AMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed