SCHEMBL29414306

SCHEMBL29414306

CC(C)(C)C[C@H](NC(=O)c1cnccn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 12/20 0.50
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
CTSL P07711 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PSMB5 P28074 5/20 0.47
PSMB11 A5LHX3 4/20 0.47
PSMA7 O14818 4/20 0.47
PSMB1 P20618 4/20 0.47
PSMA1 P25786 4/20 0.47
PSMA2 P25787 4/20 0.47
PSMA3 P25788 4/20 0.47
PSMA4 P25789 4/20 0.47
PSMB8 P28062 4/20 0.47
PSMB9 P28065 4/20 0.47
PSMA5 P28066 4/20 0.47
PSMB4 P28070 4/20 0.47
PSMB6 P28072 4/20 0.47
PSMB10 P40306 4/20 0.47
PSMB3 P49720 4/20 0.47

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
SCHEMBL25286453 1.00 LONP1 (0.50) LONP1GRNSORT1CTSLKDM4E
SCHEMBL25286452 1.00 LONP1 (0.50) LONP1GRNSORT1CTSLKDM4E
SCHEMBL9830710 0.84 LONP1 (0.63) LONP1CTSLKDM4EPSMB5PSMB11
SCHEMBL9830718 0.84 LONP1 (0.63) LONP1CTSLKDM4EPSMB5PSMB11
SCHEMBL22610053 0.82 LONP1 (0.51) LONP1CTSLKDM4EPSMB5PSMB11
SCHEMBL22610052 0.82 LONP1 (0.51) LONP1CTSLKDM4EPSMB5PSMB11
SCHEMBL28349151 0.82 LONP1 (0.61) LONP1GRNSORT1CTSLPSMB5
SCHEMBL2125178 0.82 LONP1 (0.61) LONP1GRNSORT1CTSLPSMB5
SCHEMBL13931851 0.81 LONP1 (0.50) LONP1CTSLKDM4EPSMB5PSMB11
SCHEMBL25223371 0.79 LONP1 (0.48) LONP1CTSLKDM4EPSMB5PSMB11

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
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 WO disclosed