SCHEMBL9755956

SCHEMBL9755956

COc1ccccc1C(=O)N(NC(=O)C#CC(C)(C)C)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46

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
SCHEMBL9756382 0.85 ABCB1 (0.44) ABCB1
SCHEMBL9756218 0.85 ABCB1 (0.44) ABCB1
SCHEMBL9756059 0.85 ABCB1 (0.47) ABCB1
SCHEMBL9756139 0.83 ABCB1 (0.43) ABCB1
SCHEMBL9755935 0.82 ABCB1 (0.41) ABCB1
SCHEMBL9755913 0.81 ABCB1 (0.51) ABCB1
SCHEMBL9714501 0.81 ABCB1 (0.60) ABCB1
SCHEMBL9756466 0.81 ABCB1 (0.41) ABCB1
SCHEMBL9755959 0.80 ABCB1 (0.48) ABCB1
SCHEMBL9756406 0.80 ABCB1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed