SCHEMBL8549492

SCHEMBL8549492

CCC(C)N(C(=O)n1nnn(CC(C)=O)c1=O)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.30
GPR139 Q6DWJ6 2/20 0.30
GRIA2 P42262 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL8546092 0.90 MC4R (0.34) POLBKMT2AALDH1A1HPGDGPR139
SCHEMBL8546700 0.88 ALDH1A1 (0.36) POLBKMT2AALDH1A1
SCHEMBL8550309 0.82 THRB (0.36) POLBALDH1A1THRBHPGDGRIA2
SCHEMBL8551811 0.81 MC4R (0.33) POLBALDH1A1THRBHPGDXBP1
SCHEMBL8551629 0.79 TRPM8 (0.34) ALDH1A1GPR139
SCHEMBL8546323 0.78 GPBAR1 (0.34) GPBAR1ALDH1A1GPR139
SCHEMBL8546039 0.77 ALDH1A1 (0.43) POLBKMT2AALDH1A1
SCHEMBL8551886 0.74 MC4R (0.32) KMT2AALDH1A1
SCHEMBL8550997 0.73 MC4R (0.33) KMT2AGRIA2GRIN1GRIN2A
SCHEMBL8547220 0.73 MC4R (0.35) POLBKMT2A

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-0820994-A1 Tetrazolinones as herbicides and intermediates NIHON BAYER AGROCHEM K.K. (JP) 1998-01-28 EP disclosed