SCHEMBL25935680

SCHEMBL25935680

C=C(O)[C@H](C)C(=O)NCCCCCN

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.52
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 1/20 0.42
TLR2 O60603 1/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41
CHRND Q07001 7/20 0.40
CHRNA1 P02708 3/20 0.40
CHRNG P07510 3/20 0.40
CHRNB1 P11230 3/20 0.40
GRIA1 P42261 2/20 0.39

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
SCHEMBL17175237 0.80 PAOX (0.61) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL14228092 0.80 PAOX (0.61) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL15858573 0.80 PAOX (0.61) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL28021585 0.79 GNAI3 (0.57) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL15623802 0.78 GNAI3 (0.60) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL766293 0.78 PAOX (0.44) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL11650885 0.77 PAOX (0.57) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL15871243 0.77 PAOX (0.53) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL21911452 0.77 PAOX (0.57) PAOXGNAI3GNAO1GNAI1SIRT6
SCHEMBL8350906 0.76 GNAI3 (0.57) PAOXGNAI3GNAO1GNAI1SIRT6

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
WO-2023147328-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION WITH HYDOLYSABLE MALEIMIDE LINKERS AND METHODS THEREOF GENENTECH, INC. (US) 2023-08-03 WO disclosed