SCHEMBL30799207

SCHEMBL30799207

CC(C)(C)OC(=O)Cc1c(OC(F)(F)F)ccc(Br)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
APP P05067 1/20 0.36
DDR1 Q08345 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GSTO1 P78417 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
AAK1 Q2M2I8 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL27034928 1.00 MTNR1A (0.39) MTNR1AMTNR1BAPPDDR1ANO1
SCHEMBL27034787 0.84 APP (0.35) MTNR1AMTNR1BAPPANO1MEN1
SCHEMBL30799387 0.82 AKR1B1 (0.38) APPHTR2AHTR2C
SCHEMBL27034924 0.82 AKR1B1 (0.38) APPHTR2AHTR2C
SCHEMBL31657265 0.76 NOTUM (0.35) HTR2AHTR2C
SCHEMBL26090518 0.76 NOTUM (0.35) HTR2AHTR2C
SCHEMBL27034969 0.74 ANO1 (0.31) APPDDR1ANO1
SCHEMBL31619328 0.70 HTR2A (0.39) HTR2AHTR2CGSTO1ALDH1A1L3MBTL1
SCHEMBL27035008 0.70 SRD5A1 (0.34) ALDH1A1
SCHEMBL17316826 0.69 MTNR1A (0.46) MTNR1AMTNR1BAPPANO1ALDH1A1

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
WO-2024017762-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-01-25 WO disclosed