SCHEMBL26170358

SCHEMBL26170358

COc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)CC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MTNR1B P49286 1/20 0.47
ANPEP P15144 1/20 0.45
PRMT1 Q99873 1/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
C3AR1 Q16581 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM8 P78325 1/20 0.41
ADAM17 P78536 1/20 0.41
KLK7 P49862 1/20 0.41

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
SCHEMBL19681568 0.86 ITGB3 (0.42) MAPTL3MBTL1ALDH1A1C3AR1SIRT1
SCHEMBL23189264 0.86 ITGB3 (0.42) MAPTL3MBTL1ALDH1A1C3AR1SIRT1
SCHEMBL23962289 0.85 MAPT (0.47) MAPTANPEPPRMT1HTTL3MBTL1
SCHEMBL20043710 0.85 SIRT2 (0.46) SIRT1
SCHEMBL17683439 0.84 SIRT2 (0.45) SIRT1
SCHEMBL23347054 0.84 SIRT2 (0.45) SIRT1
SCHEMBL24329149 0.83 SIRT2 (0.41) C3AR1SIRT1ADAM10MMP2MMP9
SCHEMBL21205432 0.82 SIRT2 (0.48) SIRT1
SCHEMBL26170667 0.81 CPB1 (0.47) SIRT1
SCHEMBL24809330 0.80 SIRT2 (0.46) SIRT1

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-2023097407-A1 MODIFIED AMATOXINS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-06-08 WO disclosed