SCHEMBL9756372

SCHEMBL9756372

CCCCCC#CC(=O)NN(C(=O)c1cccc(C)c1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.53
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9755994 0.99 ABCB1 (0.52) ABCB1CYP3A4CYP2C9HPGDTDP1
SCHEMBL9756062 0.97 ABCB1 (0.54) ABCB1CYP3A4CYP2C9HPGDTDP1
SCHEMBL9756102 0.92 ABCB1 (0.56) ABCB1CYP3A4CYP2C9HPGDTDP1
SCHEMBL9756319 0.88 CYP3A4 (0.44) ABCB1CYP3A4CYP2C9
SCHEMBL9756057 0.88 ABCB1 (0.58) ABCB1CYP3A4CYP2C9HPGDTDP1
SCHEMBL9755951 0.88 POLB (0.53) CYP3A4CYP2C9HPGD
SCHEMBL9755921 0.87 CYP3A4 (0.44) ABCB1CYP3A4CYP2C9
SCHEMBL9756455 0.86 POLB (0.52) CYP3A4CYP2C9HPGD
SCHEMBL9756376 0.85 CYP3A4 (0.45) ABCB1CYP3A4CYP2C9HPGD
SCHEMBL9755978 0.84 POLB (0.55) CYP3A4CYP2C9HPGD

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