SCHEMBL8551340

SCHEMBL8551340

CCC(=O)Cn1nnn(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 2/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
MAPT P10636 3/20 0.31
MAPKAPK2 P49137 1/20 0.31
GPR139 Q6DWJ6 3/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 2/20 0.31
LIPE Q05469 1/20 0.31
HTT P42858 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
SCHEMBL8550517 0.89 TRPM8 (0.33) ALDH1A1LMNATP53SMN1; SMN2GPR139
SCHEMBL8551811 0.88 MC4R (0.33) ALDH1A1GPR139
SCHEMBL8546323 0.88 GPBAR1 (0.34) GPBAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550089 0.88 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL8550123 0.82 GPBAR1 (0.34) GPBAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8551702 0.81 ALDH1A1 (0.34) GPBAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8551629 0.77 TRPM8 (0.34) ALDH1A1LMNATP53SMN1; SMN2GPR139
SCHEMBL8546092 0.76 MC4R (0.34) ALDH1A1GPR139
SCHEMBL8546039 0.76 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL9620371 0.75 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2MAPT

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