SCHEMBL24540412

SCHEMBL24540412

CNC(=O)CN1CCN(CC(=O)O)CCN(CC=O)CCN(CC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ANXA2 P07355 3/20 0.34
S100A10 P60903 3/20 0.34
CYP11B2 P19099 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL25576425 1.00 HSD17B10 (0.39) HSD17B10ALDH1A1SMN1; SMN2ANXA2S100A10
SCHEMBL12327042 1.00 HSD17B10 (0.39) HSD17B10ALDH1A1SMN1; SMN2ANXA2S100A10
SCHEMBL12327463 1.00 HSD17B10 (0.39) HSD17B10ALDH1A1SMN1; SMN2ANXA2S100A10
SCHEMBL25576420 0.91 HSD17B10 (0.33) HSD17B10ALDH1A1SMN1; SMN2ANXA2S100A10
SCHEMBL13381316 0.89 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2CHRM5CHRM3
SCHEMBL8036136 0.89 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2CHRM5CHRM3
SCHEMBL10563724 0.87 HSD17B10 (0.45) HSD17B10ALDH1A1SMN1; SMN2CHRM5CHRM3
SCHEMBL5538919 0.87 HSD17B10 (0.48) HSD17B10ALDH1A1SMN1; SMN2SLC6A9
SCHEMBL7885790 0.87 HSD17B10 (0.48) HSD17B10ALDH1A1SMN1; SMN2SLC6A9
SCHEMBL3930061 0.87 HSD17B10 (0.48) HSD17B10ALDH1A1SMN1; SMN2SLC6A9

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-2022126275-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-23 WO disclosed