SCHEMBL29013169

SCHEMBL29013169

NC(=O)OC1CCN(C(=O)CCCl)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.43
TPSD1 Q9BZJ3 6/20 0.43
TPSG1 Q9NRR2 6/20 0.43
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PLG P00747 1/20 0.37
KMT2A Q03164 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34
HDAC2 Q92769 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
SCHEMBL29260116 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL29260114 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL29179866 0.86 ALDH1A1 (0.55) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL29260222 0.85 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL29144075 0.81 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL27668729 0.81 TPSAB1 (0.41) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL29143913 0.81 POLB (0.46) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL28857052 0.81 ALDH1A1 (0.49) TPSAB1TPSD1TPSG1ALDH1A1F2
SCHEMBL28425908 0.79 EPHX2 (0.45) TPSAB1TPSD1TPSG1ALDH1A1NPC1
SCHEMBL25024582 0.77 GNAI3 (0.57) ALDH1A1NPC1KMT2AGNAI3GNAO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-117794936-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-03-29 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed