SCHEMBL8397885

SCHEMBL8397885

CCCc1ccccc1OCc1ccccc1/C(=N\OC)C(=O)NC

nearest known ligand 0.58

Predicted protein targets (top 14)

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
FOLH1 Q04609 1/20 0.37
ABCB1 P08183 1/20 0.37
HTR7 P34969 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL8397892 1.00 HIF1A (0.48) HIF1APPARDTP53HTTHTR1A
SCHEMBL8400206 0.93 HIF1A (0.47) HIF1APPARDTP53HTT
SCHEMBL8400214 0.93 HIF1A (0.47) HIF1APPARDTP53HTT
SCHEMBL8397737 0.92 HIF1A (0.46) HIF1APPARD
SCHEMBL8397750 0.92 HIF1A (0.46) HIF1APPARD
SCHEMBL8396069 0.92 HIF1A (0.51) HIF1ATP53HTTFOLH1HTR7
SCHEMBL8396065 0.92 HIF1A (0.51) HIF1ATP53HTTFOLH1HTR7
SCHEMBL8396240 0.91 HIF1A (0.48) HIF1APPARDTP53HTTHTR1A
SCHEMBL8396228 0.91 HIF1A (0.48) HIF1APPARDTP53HTTHTR1A
SCHEMBL8619361 0.88 HIF1A (0.47) HIF1APPARDTP53HTTHTR1A

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 5 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
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed