SCHEMBL8395206

SCHEMBL8395206

CCON=CC(=O)N(C)c1ccccc1COc1ccc(Cl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.42
MRGPRX4 Q96LA9 5/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ANO2 Q9NQ90 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8396361 0.90 ANO1 (0.45) ANO1MRGPRX4PTGDR2ANO2FFAR1
SCHEMBL8398057 0.89 MEN1 (0.43) ANO1MRGPRX4PTGDR2ANO2FFAR1
SCHEMBL8399012 0.88 RECQL (0.40) PTGDR2MAPTTDP1
SCHEMBL8519544 0.84 PTGDR2 (0.38) PTGDR2SMN1; SMN2MAPTPOLBTDP1
SCHEMBL8398978 0.81 MRGPRX4 (0.51) MRGPRX4SMN1; SMN2MAPTPOLB
SCHEMBL8400208 0.80 MEN1 (0.46) ANO1MRGPRX4PTGDR2ANO2FFAR1
SCHEMBL8397935 0.80 MRGPRX4 (0.41) MRGPRX4FFAR1FFAR4SMN1; SMN2MAPT
SCHEMBL8396050 0.77 RECQL (0.44) PTGDR2MAPTTDP1
SCHEMBL8395439 0.76 CYP3A4 (0.43) PTGDR2TDP1
SCHEMBL8396086 0.74 TP53 (0.47) SMN1; SMN2TP53TDP1

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