SCHEMBL8551629

SCHEMBL8551629

CC(=O)Cn1nnn(C(=O)N(c2ccc(C)cc2)C(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GPR139 Q6DWJ6 10/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8546092 0.89 MC4R (0.34) ALDH1A1GPR139
SCHEMBL8546323 0.89 GPBAR1 (0.34) ALDH1A1GPR139LMNATP53SMN1; SMN2
SCHEMBL8546039 0.89 ALDH1A1 (0.43) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550517 0.88 TRPM8 (0.33) TRPM8ALDH1A1GPR139CYP2C19LMNA
SCHEMBL8545512 0.84 TRPM8 (0.36) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550100 0.82 TRPM8 (0.33) TRPM8ALDH1A1GPR139CYP2C19
SCHEMBL8549492 0.79 POLB (0.33) ALDH1A1GPR139
SCHEMBL8546700 0.78 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8551811 0.77 MC4R (0.33) ALDH1A1GPR139
SCHEMBL8551340 0.77 GPBAR1 (0.33) ALDH1A1GPR139LMNATP53SMN1; SMN2

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