SCHEMBL9756286

SCHEMBL9756286

CCCCCCCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
ABCB1 P08183 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9756516 1.00 CYP3A4 (0.48) CYP3A4CYP2C9GAARECQLPOLB
SCHEMBL9756002 1.00 CYP3A4 (0.48) CYP3A4CYP2C9GAARECQLPOLB
SCHEMBL9756252 1.00 CYP3A4 (0.48) CYP3A4CYP2C9GAARECQLPOLB
SCHEMBL9756039 1.00 CYP3A4 (0.48) CYP3A4CYP2C9GAARECQLPOLB
SCHEMBL9756046 0.99 CYP3A4 (0.49) CYP3A4CYP2C9GAARECQLPOLB
SCHEMBL9756174 0.95 CYP3A4 (0.50) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9755969 0.90 CYP3A4 (0.52) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9755943 0.87 ABCB1 (0.57) CYP3A4CYP2C9ABCB1
SCHEMBL9755871 0.87 ABCB1 (0.57) CYP3A4CYP2C9ABCB1
SCHEMBL9756134 0.87 ABCB1 (0.57) CYP3A4CYP2C9ABCB1

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