SCHEMBL8395408

SCHEMBL8395408

CCN(C(=O)C=NOC)c1ccccc1COc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
SLC1A5 Q15758 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35

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
SCHEMBL8395164 0.93 CYP3A4 (0.41) CYP3A4LMNARECQLTRPM8SLC1A5
SCHEMBL8398724 0.92 NISCH (0.38) CYP3A4LMNARECQLSLC1A5NPSR1
SCHEMBL9241220 0.91 RECQL (0.41) CYP3A4LMNARECQLSLC1A5CDK4
SCHEMBL8395439 0.90 CYP3A4 (0.43) CYP3A4LMNARECQLRXRARXRB
SCHEMBL8398007 0.89 SMN1; SMN2 (0.39) CYP3A4LMNARECQLKMT2AMEN1
SCHEMBL8395678 0.89 MRGPRX4 (0.39) CYP3A4LMNARECQLKMT2AMEN1
SCHEMBL8399135 0.89 CYP3A4 (0.43) CYP3A4LMNAKMT2AMEN1MAPT
SCHEMBL8399129 0.88 LMNA (0.41) CYP3A4LMNATRPM8SLC1A5NPSR1
SCHEMBL8396234 0.88 PPARD (0.39) CYP3A4LMNASLC1A5
SCHEMBL8399060 0.88 TP53 (0.45) LMNARXRARXRBTRPM8SLC1A5

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 2 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