SCHEMBL4647449

SCHEMBL4647449

[SiH2]c1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
ABCB1 P08183 2/20 0.39
CEL P19835 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CYP11B2 P19099 1/20 0.33
KMO O15229 1/20 0.33
NOS1 P29475 1/20 0.33
TDO2 P48775 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL239469 0.87 ABCB1 (0.43) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL14353365 0.85 ABCB1 (0.42) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL777873 0.84 CEL (0.41) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL15915330 0.78 PTGDR2 (0.42) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL301162 0.78 HTR1A (0.38) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL301130 0.78 HTR1A (0.38) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL4962002 0.78 CHRNB2 (0.53) ABCB1CELPTGDR2KMOCHRNB2
SCHEMBL4958023 0.78 CHRNB2 (0.53) ABCB1CELPTGDR2KMOCHRNB2
SCHEMBL5737525 0.78 HTR1A (0.38) PTGS2ABCB1CELPTGDR2HTR1A
SCHEMBL4983981 0.78 ABCB1 (0.38) PTGS2ABCB1CELPTGDR2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111263793-A Self-polishing antifouling coating composition containing alkoxysilane 汉伯公司 2020-06-09 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed