SCHEMBL7701546

SCHEMBL7701546

COc1cccc(C(=O)NN(C(=O)c2cccc(C)c2C)C(C)(C)C)c1C

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.71

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
SCHEMBL10718620 0.90 ABCB1 (0.59) ABCB1
SCHEMBL4040782 0.88 ABCB1 (0.56) ABCB1
SCHEMBL9237401 0.86 ABCB1 (0.72) ABCB1
SCHEMBL5056902 0.86 ABCB1 (0.69) ABCB1
SCHEMBL5056990 0.86 ABCB1 (0.76) ABCB1
SCHEMBL8383736 0.85 ABCB1 (0.79) ABCB1
SCHEMBL5064287 0.85 ABCB1 (0.59) ABCB1
SCHEMBL5058444 0.85 ABCB1 (0.74) ABCB1
SCHEMBL9103405 0.85 ABCB1 (0.64) ABCB1
SCHEMBL9102689 0.85 ABCB1 (0.71) ABCB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002079176-A1 PROCESS FOR 2,4-DISUBSTITUTED-1,3,4-OXADIAZOLINE-5-THIONE AND 5-ONE COMPOUNDS DOW AGROSCIENCES LLC (US) 2002-10-10 WO disclosed