SCHEMBL700442

SCHEMBL700442

[CH2]C1c2ccccc2CC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HBB P68871 1/20 0.37
PDPK1 O15530 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL2582726 0.77 SIGMAR1 (0.41) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL2401875 0.76 SIGMAR1 (0.38) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL2793129 0.75 HTR2A (0.43) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL21845156 0.75 HTR2A (0.43) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL1745011 0.75 ALOX15 (0.44) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL14429883 0.75 ALOX15 (0.44) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL24388766 0.72 PDPK1 (0.47) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL9733609 0.72 SIGMAR1 (0.38) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL2581679 0.72 PDPK1 (0.47) SIGMAR1ALDH1A1MAPTALOX15TSHR
SCHEMBL12745141 0.71 SLC6A2 (0.40) SIGMAR1ALDH1A1MAPTALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892346-A2 ACTIVE COMPOUND COMBINATIONS Bayer CropScience AG (DE) 2015-07-15 EP claimed
EP-2892341-A2 ACTIVE COMPOUND COMBINATIONS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037314-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
WO-2014037315-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
WO-2012082542-A2 SOYBEAN EVENT SYHT04R AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO claimed
EP-2445348-A1 COMBINATIONS OF FUNGICIDALLY ACTIVE YEAST AND FUNGICIDES Bayer Cropscience AG (DE) 2012-05-02 EP claimed
EP-2369932-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2011-10-05 EP claimed
WO-2011076726-A2 PESTICIDAL COMPOUND MIXTURES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO claimed
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
WO-2010149369-A1 COMBINATIONS OF FUNGICIDALLY ACTIVE YEAST AND FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO claimed
WO-2010060982-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2010-06-03 WO claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-3975721-A1 DITHIOCARBAMATE FUNGICIDE MACROMOLECULAR COMPLEXES Adama Makhteshim Ltd. (IL) 2022-04-06 EP disclosed
WO-2020240478-A1 DITHIOCARBAMATE FUNGICIDE MACROMOLECULAR COMPLEXES ADAMA MAKHTESHIM LTD. (IL) 2020-12-03 WO disclosed
WO-2018116073-A1 1, 2, 3-THIADIAZOLE COMPOUNDS AND THEIR USE AS CROP PROTECTING AGENT PI INDUSTRIES LTD. (IN) 2018-06-28 WO disclosed
EP-2892346-A2 ACTIVE COMPOUND COMBINATIONS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2001040256-A1 TACCALONOLIDES AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed
WO-2001034576-A2 USE OF PYRIMIDINONE DERIVATIVES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-17 WO disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO disclosed
WO-2000073290-A1 ISOTHIAZOLECARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-12-07 WO disclosed