SCHEMBL28622189

SCHEMBL28622189

CCC(CS(=O)(=O)CC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.33
EPHX2 P34913 1/20 0.33
MTTP P55157 5/20 0.33
CCR8 P51685 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
PPARA Q07869 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL28622366 0.85 NR1H4 (0.34) RXFP1EPHX2MTTPALDH1A1LMNA
Flubendiamide SCHEMBL27362 0.85 EPHX2 (0.36) RXFP1EPHX2CCR8ALDH1A1LMNA
Flubendiamide SCHEMBL4054589 0.85 EPHX2 (0.36) RXFP1EPHX2CCR8ALDH1A1LMNA
Flubendiamide SCHEMBL29369179 0.85 EPHX2 (0.36) RXFP1EPHX2CCR8ALDH1A1LMNA
SCHEMBL5486752 0.84 EPHX2 (0.35) RXFP1EPHX2CCR8ALDH1A1LMNA
Flubendiamide SCHEMBL15798517 0.84 EPHX2 (0.35) RXFP1EPHX2CCR8ALDH1A1LMNA
SCHEMBL13612662 0.83 RXFP1 (0.36) RXFP1EPHX2CCR8ALDH1A1LMNA
SCHEMBL28622183 0.83 LMNA (0.35) RXFP1EPHX2CCR8ALDH1A1LMNA
SCHEMBL13121150 0.82 MAPT (0.34) RXFP1EPHX2CCR8ALDH1A1LMNA
SCHEMBL1886992 0.82 EPHX2 (0.36) RXFP1EPHX2CCR8ALDH1A1LMNA

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
CN-108640866-B Flubendiamide antigen and preparation method and application thereof 中国农业大学 2021-08-31 CN disclosed