SCHEMBL9756440

SCHEMBL9756440

CC(C)(C)N(NC(=O)c1ccccc1)C(=O)C1=CCC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65

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
SCHEMBL9507237 0.89 POLB (0.63) POLBCYP3A4CYP2C9
SCHEMBL9756443 0.89 POLB (0.70) POLBCYP3A4CYP2C9
SCHEMBL9756298 0.88 POLB (0.74) POLBCYP3A4CYP2C9
SCHEMBL9756512 0.88 POLB (0.62) POLBCYP3A4CYP2C9
SCHEMBL9756450 0.88 POLB (0.62) POLBCYP3A4CYP2C9
SCHEMBL9756448 0.88 POLB (0.62) POLBCYP3A4CYP2C9
SCHEMBL9755891 0.86 POLB (0.51) POLBCYP3A4CYP2C9
SCHEMBL9755947 0.85 ABCB1 (0.70) POLBCYP3A4CYP2C9
SCHEMBL9756378 0.84 CYP3A4 (0.53) POLBCYP3A4CYP2C9
Rh-5849 SCHEMBL1538531 0.83 POLB (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed