SCHEMBL8399012

SCHEMBL8399012

CCON=CC(=O)N(C)c1ccccc1COc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NOTUM Q6P988 1/20 0.38
SLC1A5 Q15758 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 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
SCHEMBL8519544 0.89 PTGDR2 (0.38) TDP1PTGDR2KMT2AALDH1A1MAPT
SCHEMBL8396050 0.89 RECQL (0.44) RECQLRXRARXRBRXRGNOTUM
SCHEMBL8395439 0.88 CYP3A4 (0.43) RECQLRXRARXRBRXRGSLC1A5
SCHEMBL8395206 0.88 ANO1 (0.42) TDP1PTGDR2MAPT
SCHEMBL8398841 0.81 L3MBTL1 (0.42) RECQLSLC1A5NPSR1TDP1CDK4
SCHEMBL8396067 0.81 NISCH (0.38) SLC1A5NPSR1KMT2AALDH1A1KDM4E
SCHEMBL896797 0.78 SMN1; SMN2 (0.40) RECQLTDP1PTGDR2KMT2AALDH1A1
SCHEMBL8399059 0.78 SMN1; SMN2 (0.40) RECQLTDP1PTGDR2KMT2AALDH1A1
SCHEMBL8397935 0.78 MRGPRX4 (0.41) RECQLTDP1MAPT
SCHEMBL7646069 0.78 SMN1; SMN2 (0.40) RECQLTDP1PTGDR2KMT2AALDH1A1

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