SCHEMBL9756015

SCHEMBL9756015

CCCC#CC(=O)N(NC(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL9755981 0.92 POLB (0.55) POLBCYP3A4CYP2C9
SCHEMBL9755955 0.91 POLB (0.53) POLBCYP3A4CYP2C9
SCHEMBL9756458 0.90 POLB (0.52) POLBCYP3A4CYP2C9
SCHEMBL9755882 0.89 POLB (0.60) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9756101 0.87 HPGD (0.47) CYP3A4HPGDSMN1; SMN2
SCHEMBL9756104 0.87 ABCB1 (0.59) POLBCYP3A4CYP2C9
SCHEMBL9756092 0.86 CYP3A4 (0.44) POLBCYP3A4CYP2C9SMN1; SMN2
SCHEMBL9756322 0.83 POLB (0.56) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9755883 0.81 POLB (0.53) POLBCYP3A4CYP2C9
SCHEMBL9756141 0.81 CTSD (0.46) HPGDSMN1; SMN2

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