SCHEMBL9518948

SCHEMBL9518948

CCC(=CC(=O)O)C1CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.42
SLC6A3 Q01959 10/20 0.42
SLC6A2 P23975 3/20 0.42
IDO1 P14902 1/20 0.39

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
SCHEMBL6998514 0.77 KMO (0.54) SLC6A4SLC6A3SLC6A2IDO1
SCHEMBL13070842 0.75 SLC6A3 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL10436588 0.75 TRPM5 (0.46)
SCHEMBL9518941 0.72 SLC6A3 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL8967106 0.71 RXRA (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL8967126 0.71 RXRA (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL8967113 0.71 RXRA (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL9580443 0.69 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL10436461 0.69 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL9580446 0.69 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2IDO1

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