SCHEMBL21552154

SCHEMBL21552154

O=C1COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CN1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL34416 1.00
SCHEMBL5577804 0.83 GAA (0.45) GAAALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL775329 0.71
SCHEMBL9025634 0.66 ALDH1A1 (0.59) GAAALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL31296913 0.64 CRBN (0.47) GAACRBN
SCHEMBL9439689 0.64 TSHR (0.47) ALDH1A1LMNATP53TSHR
SCHEMBL4973748 0.64 CRBN (0.47) GAACRBN
Formaldehyde SCHEMBL8777139 0.64
SCHEMBL15066 0.64
SCHEMBL13324558 0.64 TSHR (0.47) ALDH1A1LMNATP53TSHR

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-3717478-A1 ENDOPARASITIC DEPSIPEPTIDES Zoetis Services LLC (US) 2020-10-07 EP claimed
EP-3790876-A1 ENDOPARASITIC DEPSIPEPTIDES Zoetis Services LLC (US) 2021-03-17 EP disclosed
WO-2019217449-A1 ENDOPARASITIC DEPSIPEPTIDES ZOETIS SERVICES LLC (US) 2019-11-14 WO disclosed