SCHEMBL9756183

SCHEMBL9756183

CCC#CCC(=O)N(NC(=O)c1cccc(C)c1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.60
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 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
SCHEMBL9756100 0.91 ABCB1 (0.58) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9755954 0.89 ABCB1 (0.65) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756003 0.88 ABCB1 (0.58) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756358 0.87 CYP3A4 (0.45) ABCB1CYP3A4CYP2C9HDAC6POLB
SCHEMBL9756020 0.86 POLB (0.58) CYP3A4CYP2C9POLB
SCHEMBL9756405 0.86 ABCB1 (0.71) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756060 0.84 ABCB1 (0.62) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756308 0.83 ABCB1 (0.66) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756182 0.81 ABCB1 (0.57) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756390 0.81 ABCB1 (0.63) 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