SCHEMBL3758529

SCHEMBL3758529

COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
IDH1 O75874 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 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
SCHEMBL30533144 0.86 TRPV3 (0.35) HCRTR1HCRTR2IDH1NPC1RAB9A
SCHEMBL20760039 0.85 MAPK1 (0.41) HCRTR1HCRTR2IDH1NPC1RAB9A
SCHEMBL30637698 0.84 CNR1 (0.39) ALDH1A1MAPTCYP2C19
SCHEMBL29929108 0.81 NPC1 (0.40) NPC1RAB9ALIPCLIPGPDE4B
SCHEMBL1201731 0.81 NPC1 (0.40) NPC1RAB9ALIPCLIPGPDE4B
SCHEMBL30177122 0.81 DRD2 (0.32) HCRTR1HCRTR2IDH1NPC1RAB9A
SCHEMBL275480 0.81 DRD2 (0.32) HCRTR1HCRTR2IDH1NPC1RAB9A
SCHEMBL19866288 0.81 HCRTR1 (0.32) HCRTR1HCRTR2IDH1NPC1RAB9A
SCHEMBL18869269 0.80 TUBB4A (0.46) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL3276376 0.80 PDE4B (0.38) NPC1RAB9APDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448302-A Synergistic herbicidal combinations comprising tembotrione BAYER CROPSCIENCE AG 2012-05-09 CN claimed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO claimed
EP-4075979-A1 1,5-DIPHENYLPYRAZOLYL-3-OXYALKYL ACIDS AND 1-PHENYL-5-THIENYLPYRAZOLYL-3-OXYALKYL ACIDS AND THE USE THEREOF FOR CONTROL OF UNDESIRED PLANT GROWTH Bayer Aktiengesellschaft (DE) 2022-10-26 EP disclosed
EP-3938348-A1 NOVEL 3-(2-BROM-4-ALKYNYL-6-ALKOXYPHENYL)-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2022-01-19 EP disclosed
WO-2020187627-A1 NOVEL 3-(2-BROM-4-ALKYNYL-6-ALKOXYPHENYL)-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-24 WO disclosed
CN-102448302-A Synergistic herbicidal combinations comprising tembotrione BAYER CROPSCIENCE AG 2012-05-09 CN disclosed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed