SCHEMBL8998912

SCHEMBL8998912

COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1Br

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.81
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.47

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
Methoxyfenozide SCHEMBL27595 0.90 ABCB1 (1.00) ABCB1
SCHEMBL5057393 0.89 ABCB1 (0.81) ABCB1CYP3A4CYP2C9
Methoxyfenozide SCHEMBL27901977 0.89 ABCB1 (0.98) ABCB1
SCHEMBL5057079 0.88 ABCB1 (0.80) ABCB1CYP3A4CYP2C9
SCHEMBL8998948 0.88 ABCB1 (0.80) ABCB1CYP3A4
SCHEMBL5058384 0.87 ABCB1 (0.86) ABCB1CYP3A4
SCHEMBL668263 0.87 ABCB1 (0.78) ABCB1CYP3A4
SCHEMBL10718829 0.86 ABCB1 (0.79) ABCB1CYP3A4
SCHEMBL64477 0.86 ABCB1 (0.77) ABCB1CYP3A4
SCHEMBL29381163 0.86 ABCB1 (0.77) ABCB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530028-A CONTROLS INSECTS OF THE ORDER LEPIDOPTERA ROHM AND HAAS COMPANY (US) 1996-06-25 US claimed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP claimed
EP-0729934-A2 A process for producing a 3-alkoxy-2-(substituted)benzoic acid or an ester thereof ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
EP-0729953-A2 A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
US-5530028-A CONTROLS INSECTS OF THE ORDER LEPIDOPTERA ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP disclosed