Sugi Predict

Sugi Predict / Compounds / SCHEMBL9515307

SCHEMBL9515307

SCHEMBL9515307

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 11/20 0.43
▸ SLC6A2 P23975 8/20 0.43
▸ SLC6A4 P31645 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9515312 1.00 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL9515301 1.00 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL8966980 0.82 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL9519029 0.82 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL27275649 0.81 HTR2A (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL9518915 0.75 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL9518919 0.75 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL9518910 0.75 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL9580503 0.75 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL9580509 0.73 SLC6A3 (0.46) SLC6A3SLC6A4

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 3 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
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 — — EP disclosed