SCHEMBL5133385

SCHEMBL5133385

CC(C)CCc1nccn1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TLR7 Q9NYK1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALPG P10696 2/20 0.34
PLAA Q9Y263 1/20 0.34
ALPL P05186 1/20 0.33
FDPS P14324 1/20 0.33
FPR2 P25090 2/20 0.33
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ARG1 P05089 1/20 0.31
APLNR P35414 1/20 0.31
RORC P51449 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9373441 0.86 FDPS (0.34) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL9374488 0.84 SMN1; SMN2 (0.33) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL28701458 0.84 FDPS (0.39) SMN1; SMN2ALPGPLAAALPLFDPS
SCHEMBL2425586 0.83 SMN1; SMN2 (0.37) TLR7SMN1; SMN2FDPSFPR2MAPK1
SCHEMBL28999703 0.81 CYP19A1 (0.41) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL1978411 0.78 AGTR1 (0.44) POLBKMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL21858158 0.77 FDPS (0.35) ALPGPLAAALPLFDPS
SCHEMBL1353073 0.77 ALPG (0.41) PDE4APDE4BPDE4CPDE4DALPG
SCHEMBL29269235 0.77 FDPS (0.33) SMN1; SMN2ALPGPLAAFDPSNPC1
SCHEMBL12480055 0.76 FDPS (0.35) SMN1; SMN2ALPGPLAAFDPSALDH1A1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198254-A Fungicide composition comprising a phosphorous acid derivative, a mandelamide type compound and a further fungicide compound BAYER CROPSCIENCE SA (FR) 2008-06-11 CN claimed
CN-105188375-B Quinoline is used for the purposes for increasing plant products 拜耳作物科学股份公司 2018-04-06 CN disclosed
CN-101553118-B Pesticidal composition comprising a synthetic compound useful as nodulation agent of leguminous plants and a fungicide compound BAYER CROPSCIENCE SA 2013-08-21 CN disclosed
CN-101460502-B Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG 2013-07-17 CN disclosed
CN-101730469-B Pesticidal compositions comprising strigolactone derivatives and fungicide compounds BAYER CROPSCIENCE SA 2013-03-27 CN disclosed
CN-101541173-B Pesticidal composition comprising fenamidone and an insecticide compound BAYER CROPSCIENCE AG 2013-03-06 CN disclosed
CN-101421218-B Cycloalkyl-phenylsubstituierte cyclische ketoenole BAYER CROPSCIENCE AG 2012-12-19 CN disclosed
CN-102766110-A Pesticide thiazolyloxy substituted phenylamidine derivatives BAYER CROPSCIENCE AG 2012-11-07 CN disclosed
CN-101287703-B Biphenylamidine derivatives as pesticides BAYER CROPSCIENCE AG 2012-11-07 CN disclosed
CN-102731403-A Insecticidal isoxazolines BAYER CROPSCIENCE AG 2012-10-17 CN disclosed
CN-101142206-A Compounds, process for their preparation and use thereof MERIAL LTD (US) 2008-03-12 CN disclosed
CN-101137289-A Pesticidal substituted thioethers MERIAL LTD (US) 2008-03-05 CN disclosed
CN-101133033-A 5-aminopyrazole derivatives as pesticidal compounds MERIAL LTD (US) 2008-02-27 CN disclosed
CN-101132695-A Insecticidal substituted piperidines MERIAL LTD (US) 2008-02-27 CN disclosed
CN-101133022-A Substituted 2-pyrrolidone derivatives as fungicides and insecticides BAYER CROPSCIENCE AG (DE) 2008-02-27 CN disclosed
CN-101133052-A 1-arylpyrazoles and their use as pesticides MERIAL LTD (US) 2008-02-27 CN disclosed
CN-101120000-A Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-02-06 CN disclosed
CN-101103014-A N-heterocyclyl phthalic acid diamides as insecticides BAYER CROPSCIENCE AG (DE) 2008-01-09 CN disclosed
CN-1988802-A Use of sulfonanilides as agricultural and horticultural fungicides BAYER CROPSCIENCE AG (DE) 2007-06-27 CN disclosed
WO-2007031508-A1 PESTICIDE PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 WO disclosed