SCHEMBL9580446

SCHEMBL9580446

CCCC/C(=C(/F)C(=O)O)C1CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.41
SLC6A3 Q01959 16/20 0.41
IDO1 P14902 1/20 0.39
SLC6A2 P23975 5/20 0.37

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
SCHEMBL10436461 0.74 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL9580443 0.74 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL6998514 0.72 KMO (0.54) SLC6A4SLC6A3IDO1SLC6A2
SCHEMBL13070842 0.71 SLC6A3 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL9518948 0.69 SLC6A4 (0.42) SLC6A4SLC6A3IDO1SLC6A2
SCHEMBL9518941 0.65 SLC6A3 (0.41) SLC6A4SLC6A3SLC6A2
Methyl Alcohol SCHEMBL9515250 0.64 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2
Methyl Alcohol SCHEMBL9515247 0.64 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL24737999 0.63 FFAR1 (0.49) IDO1
SCHEMBL7002253 0.63 FFAR1 (0.51) SLC6A4SLC6A3IDO1SLC6A2

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
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed