SCHEMBL8383530

SCHEMBL8383530

CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(F)cc(F)c1)C(C)(C)C

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.60
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL5053852 0.93 ABCB1 (0.56) ABCB1CYP3A4CYP2C9
SCHEMBL5064032 0.92 ABCB1 (0.54) ABCB1
SCHEMBL5133587 0.92 ABCB1 (0.56) ABCB1
SCHEMBL5053864 0.88 ABCB1 (0.61) ABCB1CYP3A4CYP2C9
SCHEMBL64477 0.88 ABCB1 (0.77) ABCB1CYP3A4
SCHEMBL5064023 0.88 ABCB1 (0.61) ABCB1CYP3A4CYP2C9
SCHEMBL29381163 0.88 ABCB1 (0.77) ABCB1CYP3A4
SCHEMBL5057173 0.88 ABCB1 (0.61) ABCB1CYP3A4CYP2C9
SCHEMBL8385698 0.88 ABCB1 (0.60) ABCB1
SCHEMBL5062351 0.87 ABCB1 (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602794-B1 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM & HAAS (US) 1999-04-21 EP claimed
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-0602794-B1 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM & HAAS (US) 1999-04-21 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
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
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