SCHEMBL8396240

SCHEMBL8396240

CCCc1ccccc1OCc1ccccc1C(=NOC)C(=O)NCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.48
PPARD Q03181 1/20 0.43
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL8396228 1.00 HIF1A (0.48) HIF1APPARDTP53HTTHTR1A
SCHEMBL8399070 0.95 HIF1A (0.46) HIF1APPARD
SCHEMBL8399073 0.95 HIF1A (0.46) HIF1APPARD
SCHEMBL8399029 0.94 HIF1A (0.45) HIF1APPARD
SCHEMBL8399035 0.94 HIF1A (0.45) HIF1APPARD
SCHEMBL8398720 0.93 HIF1A (0.50) HIF1ATP53HTT
SCHEMBL8398729 0.93 HIF1A (0.50) HIF1ATP53HTT
SCHEMBL8397892 0.91 HIF1A (0.48) HIF1APPARDTP53HTTHTR1A
SCHEMBL8397885 0.91 HIF1A (0.48) HIF1APPARDTP53HTTHTR1A
SCHEMBL8395411 0.89 HIF1A (0.48) HIF1ATP53HTTPTGDR2

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