SCHEMBL9845461

SCHEMBL9845461

C=C1C2=C(CCCC2)C(=O)N1c1cc(C(=O)OC(C)CSC)c(Cl)cc1F

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.36
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL9845451 0.92
SCHEMBL9845431 0.91 PPOX (0.35) PPOX
SCHEMBL9845438 0.89 PPOX (0.34) PPOX
SCHEMBL9845429 0.88 PPOX (0.33) PPOX
SCHEMBL9845425 0.83 PPOX (0.46) PPOX
SCHEMBL11201432 0.81 PPOX (0.45) PPOXGRM7GRM4
SCHEMBL9845434 0.80 PPOX (0.38) PPOX
SCHEMBL9845440 0.79 GRM7 (0.41) GRM7GRM4
SCHEMBL9845421 0.79 GRM7 (0.38) GRM7GRM4
SCHEMBL9845427 0.78 PPOX (0.39) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420810-A2 Herbicidal agents CIBA-GEIGY AG (CH) 1991-04-03 EP claimed
EP-0420810-A2 Herbicidal agents CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed