SCHEMBL16953545

SCHEMBL16953545

CCOc1c([CH]O)cccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ F2R P25116 1/20 0.34
▸ ANO1 Q5XXA6 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ AGTR1 P30556 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
SCHEMBL16954498 0.88 PDK2 (0.40) PDK2HCRTR1HCRTR2L3MBTL1HPGD
SCHEMBL16955698 0.88 GSK3A (0.38) GSK3AL3MBTL1HPGDMEN1KMT2A
SCHEMBL16956744 0.86 GSK3A (0.37) GSK3APDK2HCRTR1HCRTR2L3MBTL1
SCHEMBL1252353 0.86 ALDH1A1 (0.42) GSK3AHCRTR1HCRTR2L3MBTL1HPGD
SCHEMBL16960196 0.85 MEN1 (0.42) GSK3AL3MBTL1HPGDMEN1KMT2A
SCHEMBL16955079 0.85 GSK3A (0.36) GSK3APDK2L3MBTL1HPGDNFE2L2
SCHEMBL16951128 0.83 GAA (0.36) L3MBTL1NFE2L2RXRARXRBRXRG
SCHEMBL16950760 0.82 NFE2L2 (0.47) HPGDNFE2L2KDM4EKCNK3KCNK9
SCHEMBL16953072 0.82 GSK3A (0.52) GSK3AL3MBTL1HPGDNFE2L2MEN1
SCHEMBL16962166 0.80 MEN1 (0.43) GSK3AL3MBTL1HPGDMEN1KMT2A

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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