SCHEMBL27410099

SCHEMBL27410099

N=C(N)NCCCC(NC(=O)c1ccccc1)C(=O)O.Nc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.45
C3AR1 Q16581 5/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PADI1 Q9ULC6 2/20 0.43
PADI4 Q9UM07 2/20 0.43
PADI2 Q9Y2J8 2/20 0.43
PADI6 Q6TGC4 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
FOLH1 Q04609 3/20 0.42
CASR P41180 1/20 0.42
CA2 P00918 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL6553039 1.00 TGM2 (0.45) TGM2C3AR1PDE4APDE4BPDE4C
Naphthalene SCHEMBL28216957 0.90 C3AR1 (0.49) TGM2C3AR1PDE4APDE4BPDE4C
SCHEMBL188589 0.89 C3AR1 (0.52) C3AR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7925397 0.89 C3AR1 (0.52) C3AR1PDE4APDE4BPDE4CPDE4D
SCHEMBL188590 0.89 C3AR1 (0.52) C3AR1PDE4APDE4BPDE4CPDE4D
SCHEMBL28542237 0.88 TGM2 (0.51) TGM2C3AR1PDE4APDE4BPDE4C
SCHEMBL28542235 0.88 TGM2 (0.51) TGM2C3AR1PDE4APDE4BPDE4C
Alcohol SCHEMBL29029781 0.84 CA2 (0.49) C3AR1PDE4APDE4BPDE4CPDE4D
Alcohol SCHEMBL2258594 0.84 CA2 (0.49) C3AR1PDE4APDE4BPDE4CPDE4D
Naphthylamine SCHEMBL28620262 0.84 CA2 (0.44) TGM2C3AR1PDE4APDE4BPDE4C

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-1074900-C Biological control of insects UNIV TROBE (AU) 2001-11-21 CN disclosed