SCHEMBL8550089

SCHEMBL8550089

CCC(=O)Cn1nnn(C(=O)N(c2ccccc2)C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MLYCD O95822 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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) ALDH1A1SMN1; SMN2LMNATP53TRPM8
SCHEMBL8551811 0.88 MC4R (0.33) ALDH1A1CCKARCCKBR
SCHEMBL8551340 0.88 GPBAR1 (0.33) ALDH1A1SMN1; SMN2LMNATP53HTT
SCHEMBL8546039 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53CHRM2
SCHEMBL9620371 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNATP53CHRM2
SCHEMBL9620447 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53CHRM2
SCHEMBL8544475 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53TSHRMEN1
SCHEMBL9620586 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNATP53CHRM2
SCHEMBL8546409 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNATP53CHRM2
SCHEMBL8346740 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53CHRM2

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