SCHEMBL9765201

SCHEMBL9765201

CCOC(=O)CCOC(=S)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PPOX P50336 3/20 0.36
GRM7 Q14831 1/20 0.34
GRM4 Q14833 1/20 0.34
KAT2B Q92831 1/20 0.34

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
SCHEMBL9765221 0.85 ALDH1A1 (0.39)
SCHEMBL9765192 0.84 GRM7 (0.39) GRM7GRM4
SCHEMBL11286292 0.82 GAA (0.53) GAAPKMPPOX
SCHEMBL9765194 0.77 LMNA (0.33)
SCHEMBL9765196 0.75 PPOX (0.40) GAAPKMPPOXGRM7GRM4
SCHEMBL9765151 0.73 GRM7 (0.36) GRM7GRM4
SCHEMBL10763459 0.73 GAA (0.41) GAAGRM7GRM4
SCHEMBL10765350 0.72 GRM7 (0.39) GRM7GRM4
SCHEMBL9765503 0.71 GAA (0.43) GAAGRM7GRM4
SCHEMBL9765184 0.71 PPOX (0.44) PPOXGRM7GRM4

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-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed