SCHEMBL6560302

SCHEMBL6560302

CCOC(=O)Oc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.36
NR1I2 O75469 1/20 0.36
PTGDR2 Q9Y5Y4 7/20 0.35
CCR2 P41597 2/20 0.33
KCNH2 Q12809 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC7 Q9HCX4 1/20 0.32
TYK2 P29597 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 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
SCHEMBL6054776 0.86 MLYCD (0.38) CACNA1BNR1I2PTGDR2CCR2KCNH2
SCHEMBL6054814 0.80 CACNA1B (0.40) CACNA1BNR1I2PTGDR2NR1H4TYK2
SCHEMBL8495216 0.79 CFTR (0.38) CACNA1BNR1I2PTGDR2NR1H4NR1H2
SCHEMBL6054858 0.79 CACNA1B (0.39) CACNA1BNR1I2PTGDR2TYK2MEN1
SCHEMBL8822199 0.78 NPC1 (0.34) NR1H4NPC1KMT2A
SCHEMBL7083430 0.78 CACNA1B (0.40) CACNA1BNR1I2PTGDR2TYK2MEN1
SCHEMBL8488962 0.76 CACNA1B (0.36) CACNA1BNR1I2PTGDR2NR1H4
Isoxaflutole SCHEMBL29355326 0.75 DHODH (0.48) CACNA1BNR1I2TYK2MEN1NPC1
Isoxaflutole SCHEMBL21645075 0.75 DHODH (0.48) CACNA1BNR1I2TYK2MEN1NPC1
Isoxaflutole SCHEMBL66989 0.75 DHODH (0.48) CACNA1BNR1I2TYK2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032267-B1 METHOD OF CONTROLLING WEEDS IN TRANSGENIC CROPS BAYER CROPSCIENCE SA (FR) 2004-03-10 EP claimed