SCHEMBL8397888

SCHEMBL8397888

CCCc1ccccc1OCc1ccccc1N(C)C(=O)C=NOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
ABCB1 P08183 3/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC1A5 Q15758 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8400210 0.94 THRA (0.41) PPARDHTR1AADRA2AADRA2BADRA2C
SCHEMBL8397742 0.93 THRA (0.46) PPARDABCB1LTB4RLTB4R2THRA
SCHEMBL8396067 0.92 NISCH (0.38) NISCHHIF1AALDH1A1SLC1A5SNCA
SCHEMBL8396234 0.88 PPARD (0.39) PPARDHTR1AADRA2AADRA2BADRA2C
SCHEMBL8396050 0.86 RECQL (0.44) ALDH1A1SLC1A5
SCHEMBL8396086 0.85 TP53 (0.47) ALDH1A1SLC1A5
SCHEMBL8395326 0.85 LMNA (0.43) THRBALDH1A1SLC1A5
SCHEMBL8400227 0.83 NISCH (0.37) NISCHHIF1AALDH1A1SLC1A5SLC6A2
SCHEMBL8398841 0.83 L3MBTL1 (0.42) ALDH1A1SLC1A5
SCHEMBL8396125 0.83 RXRA (0.42) HIF1A

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