SCHEMBL9756263

SCHEMBL9756263

CCCCCCCCCC(=O)N(NC(=O)c1cccc(C)c1)C(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.60
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL9756014 1.00 ABCB1 (0.60) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9755873 1.00 ABCB1 (0.60) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9755945 1.00 ABCB1 (0.60) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9756138 1.00 ABCB1 (0.60) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9756068 0.99 ABCB1 (0.62) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9756390 0.95 ABCB1 (0.63) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9756308 0.90 ABCB1 (0.66) ABCB1CYP3A4CYP2C9TAS1R3TAS1R1
SCHEMBL9756289 0.87 CYP3A4 (0.45) ABCB1CYP3A4CYP2C9
SCHEMBL9756515 0.87 CYP3A4 (0.45) ABCB1CYP3A4CYP2C9
SCHEMBL9756041 0.87 CYP3A4 (0.45) ABCB1CYP3A4CYP2C9

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