SCHEMBL2443496

SCHEMBL2443496

CCOc1c(OC(C)(C)C)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL736687 0.84
SCHEMBL94221 0.82 POLB (0.42) POLBGAAMAPTTSHRALDH1A1
SCHEMBL8723746 0.79
SCHEMBL7780750 0.75
SCHEMBL8283932 0.74 POLB (0.34) POLBGAAMAPT
Alcohol SCHEMBL2594726 0.74 GAA (0.43) POLBGAAMAPTTSHRALDH1A1
SCHEMBL14071570 0.72 POLB (0.38) POLBGAAMAPTTSHRALDH1A1
SCHEMBL30740684 0.71 GAA (0.36) POLBGAAMAPTTSHR
SCHEMBL2742898 0.70 MAPT (0.41) POLBGAAMAPTTSHRALDH1A1
SCHEMBL14235866 0.70 ALDH1A1 (0.38) MAPTTSHRALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283754-B Squaraine compound and derivative targeting PSMA and application thereof 北京师范大学 2024-10-15 CN disclosed
CN-116283754-A Squaraine compound and derivative targeting PSMA and application thereof 北京师范大学 2023-06-23 CN disclosed
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed