SCHEMBL9518943

SCHEMBL9518943

CCOC(=O)C=C[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.48
SLC6A4 P31645 9/20 0.48
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9518954 1.00 SLC6A3 (0.48) SLC6A3SLC6A4TDP1L3MBTL1MAPT
SCHEMBL9580506 0.91 SLC6A3 (0.46) SLC6A3SLC6A4TDP1L3MBTL1
SCHEMBL9580509 0.91 SLC6A3 (0.46) SLC6A3SLC6A4TDP1L3MBTL1
SCHEMBL9400329 0.89 SLC6A3 (0.44) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9400333 0.89 SLC6A3 (0.44) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9400335 0.89 SLC6A3 (0.44) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9580400 0.84 SLC6A3 (0.44) SLC6A3SLC6A4TDP1L3MBTL1MAPT
SCHEMBL10436454 0.84 SLC6A3 (0.44) SLC6A3SLC6A4TDP1L3MBTL1MAPT
SCHEMBL10436453 0.84 SLC6A3 (0.44) SLC6A3SLC6A4TDP1L3MBTL1MAPT
SCHEMBL10436491 0.83 SLC6A3 (0.44) SLC6A3SLC6A4MAPTMAPK1HTT

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed