SCHEMBL29501800

SCHEMBL29501800

CC(C)CC1NC(=O)CCCC(=O)NCCCCC(C(N)=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.56
SIRT1 Q96EB6 10/20 0.56
SIRT3 Q9NTG7 10/20 0.56
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
ADAM17 P78536 1/20 0.49
SIRT5 Q9NXA8 7/20 0.49
SIRT7 Q9NRC8 3/20 0.46
SIRT6 Q8N6T7 2/20 0.46
IDE P14735 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
SCHEMBL32668275 0.80 GRB2 (0.47) SIRT2SIRT1SIRT3IDE
SCHEMBL32668279 0.79 GRB2 (0.44) SIRT2SIRT1SIRT3IDE
SCHEMBL29501818 0.79 SIRT2 (0.46) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL29501829 0.79 SIRT2 (0.55) SIRT2SIRT1SIRT3SIRT5SIRT7
SCHEMBL32668260 0.75 KLHL20 (0.44) SIRT2SIRT1SIRT3IDE
SCHEMBL16615623 0.71 SIRT2 (0.42) SIRT2SIRT1SIRT3MMP1MMP9
SCHEMBL10751453 0.69 GLI1 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24808654 0.69 IDE (0.70) IDE
SCHEMBL14374129 0.68 GLI1 (0.44) SIRT2SIRT1SIRT3SIRT5
Proline SCHEMBL11591714 0.67 KLK7 (0.43) MMP1MMP9ADAM17IDE

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-3989997-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS Washington University (US) 2022-05-04 EP disclosed