SCHEMBL17560432

SCHEMBL17560432

CN(C)C(=O)OC(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 1/20 0.34
PDK1 Q15118 1/20 0.34

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
SCHEMBL22322309 0.98 ALDH1A1 (0.42) ALDH1A1POLBHPGDSMN1; SMN2HSD11B1
SCHEMBL17560436 0.82 CHRNB2 (0.42) HPGDHSD11B1
SCHEMBL29999217 0.82 ALDH1A1 (0.36) ALDH1A1POLBHPGDSMN1; SMN2GAA
SCHEMBL1423963 0.80 ALDH1A1 (0.39) ALDH1A1POLBHPGDSMN1; SMN2HSD11B1
SCHEMBL31689906 0.78 ALDH1A1 (0.32) ALDH1A1POLBSMN1; SMN2GAAMAPT
SCHEMBL30443406 0.76 ALDH1A1 (0.54) ALDH1A1POLBHPGDSMN1; SMN2GAA
SCHEMBL28195034 0.75 ALDH1A1 (0.43) ALDH1A1POLBHPGDSMN1; SMN2GAA
SCHEMBL11456775 0.73 ALDH1A1 (0.46) ALDH1A1POLBHPGDSMN1; SMN2GAA
SCHEMBL26110865 0.73 ALDH1A1 (0.47) ALDH1A1POLBHPGDSMN1; SMN2GAA
SCHEMBL4469459 0.73 ALDH1A1 (0.42) ALDH1A1POLBHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419527-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
WO-2023067355-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
WO-2016034134-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-10 WO disclosed