SCHEMBL8550100

SCHEMBL8550100

COC(Cn1nnn(C(=O)N(c2ccc(C)cc2)C(C)C)c1=O)OC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
GPR139 Q6DWJ6 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8551702 0.90 ALDH1A1 (0.34) USP2ALDH1A1GAAMMP2MMP9
SCHEMBL8547220 0.90 MC4R (0.35)
SCHEMBL8546014 0.89 ALDH1A1 (0.41) TRPM8ALDH1A1
SCHEMBL8551629 0.82 TRPM8 (0.34) TRPM8ALDH1A1GPR139CYP2C19
SCHEMBL8545512 0.81 TRPM8 (0.36) TRPM8ALDH1A1
SCHEMBL8550517 0.80 TRPM8 (0.33) TRPM8ALDH1A1GPR139CYP2C19
SCHEMBL8550558 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9620371 0.73 ALDH1A1 (0.46) TRPM8ALDH1A1
SCHEMBL8546092 0.71 MC4R (0.34) ALDH1A1GPR139
SCHEMBL8546323 0.71 GPBAR1 (0.34) USP2ALDH1A1GAAGPR139

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