SCHEMBL9545657

SCHEMBL9545657

CNC(=O)OS/N=C(\C)OC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8781206 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11509108 0.74
SCHEMBL11154231 0.68 TDP1 (0.37) ALDH1A1TDP1
SCHEMBL11154234 0.68 TDP1 (0.37) ALDH1A1TDP1
SCHEMBL9707005 0.67 TDP1 (0.34) ALDH1A1TDP1
SCHEMBL28818267 0.66
SCHEMBL19663841 0.66
SCHEMBL11053025 0.64
SCHEMBL988588 0.64 CHRM2 (0.30)
SCHEMBL10614 0.64

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62106002-A None JP disclosed
WO-1993022909-A1 INSECT TRAP CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed
US-4888049-A BRANCHED QUATERNARY AMMONIUM SALT KAO CORPORATION (JP) 1989-12-19 US disclosed
JP-S62106002-A INSECTICIDAL COMPOSITION NIPPON KAYAKU CO LTD 1987-05-16 JP disclosed