SCHEMBL9756040

SCHEMBL9756040

CC(C)(C)N(NC(=O)c1ccccc1)C(=O)C1CC1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL9755965 0.96 POLB (0.61) POLBCYP3A4CYP2C9
SCHEMBL9756163 0.96 POLB (0.61) POLBCYP3A4CYP2C9
SCHEMBL9755972 0.94 POLB (0.60) POLBCYP3A4CYP2C9
SCHEMBL9756370 0.94 POLB (0.60) POLBCYP3A4CYP2C9
SCHEMBL8166805 0.94 POLB (0.60) POLBCYP3A4CYP2C9
SCHEMBL9756085 0.85 POLB (0.48) POLB
SCHEMBL9755977 0.84 ABCB1 (0.67) POLBCYP3A4CYP2C9
SCHEMBL9756150 0.83 CYP3A4 (0.50) POLBCYP3A4CYP2C9
SCHEMBL4257189 0.82 POLB (0.77) POLBCYP3A4CYP2C9
SCHEMBL9756107 0.81 KMT2A (0.45) POLB

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-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed