SCHEMBL9756458

SCHEMBL9756458

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

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NAAA Q02083 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
SCHEMBL9755955 0.99 POLB (0.53) POLBCYP3A4CYP2C9
SCHEMBL9755981 0.95 POLB (0.55) POLBCYP3A4CYP2C9
SCHEMBL9756015 0.90 POLB (0.57) POLBCYP3A4CYP2C9
SCHEMBL9756441 0.88 HPGD (0.43)
SCHEMBL9755998 0.88 ABCB1 (0.55) CYP3A4CYP2C9
SCHEMBL9755990 0.87 HPGD (0.44)
SCHEMBL9755924 0.87 CYP3A4 (0.41) POLBCYP3A4CYP2C9
SCHEMBL9756380 0.86 ABCB1 (0.56) CYP3A4CYP2C9
SCHEMBL9756321 0.85 CYP3A4 (0.42) POLBCYP3A4CYP2C9
SCHEMBL9755882 0.85 POLB (0.60) POLBCYP3A4CYP2C9

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 2 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