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Sugi Predict / Compounds / SCHEMBL8967727

SCHEMBL8967727

SCHEMBL8967727

CC(C=C[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)=CC(=O)N(CC(C)C)C(=O)C(=O)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.36
▸ SLC6A3 Q01959 9/20 0.34
▸ SLC6A4 P31645 7/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ TACR3 P29371 1/20 0.33
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ RXRA P19793 1/20 0.31

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
SCHEMBL8967493 1.00 IDO1 (0.36) IDO1SLC6A3SLC6A4SLC6A2TACR3
SCHEMBL8967730 1.00 IDO1 (0.36) IDO1SLC6A3SLC6A4SLC6A2TACR3
SCHEMBL8967722 1.00 IDO1 (0.36) IDO1SLC6A3SLC6A4SLC6A2TACR3
SCHEMBL8967741 0.88 IDO1 (0.40) IDO1SLC6A3SLC6A4SLC6A2RARB
SCHEMBL8967737 0.88 IDO1 (0.40) IDO1SLC6A3SLC6A4SLC6A2RARB
SCHEMBL8967732 0.88 IDO1 (0.40) IDO1SLC6A3SLC6A4SLC6A2RARB
SCHEMBL8967079 0.87 SLC6A3 (0.39) IDO1SLC6A3SLC6A4SLC6A2
SCHEMBL8967077 0.87 SLC6A3 (0.39) IDO1SLC6A3SLC6A4SLC6A2
SCHEMBL8967416 0.87 SLC6A3 (0.39) IDO1SLC6A3SLC6A4SLC6A2
SCHEMBL8967078 0.87 SLC6A3 (0.39) IDO1SLC6A3SLC6A4SLC6A2

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-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 — — EP disclosed
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 — — US disclosed