SCHEMBL24360338

SCHEMBL24360338

CCC(NC(=O)C(C)(C)S)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.54
MME P08473 3/20 0.54
ACE2 Q9BYF1 2/20 0.54
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
FOLH1 Q04609 4/20 0.35
NAALAD2 Q9Y3Q0 3/20 0.35
RIMKLA Q8IXN7 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 2/20 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
Bucillamine SCHEMBL930021 0.84 MAPT (0.59) ACEMMEACE2MAPTKDM4E
Bucillamine SCHEMBL5060887 0.84 MAPT (0.59) ACEMMEACE2MAPTKDM4E
Bucillamine SCHEMBL121965 0.84 MAPT (0.59) ACEMMEACE2MAPTKDM4E
Bucillamine SCHEMBL522713 0.84 MAPT (0.59) ACEMMEACE2MAPTKDM4E
SCHEMBL31406277 0.83 POLB (0.40) ACEMMEACE2MAPTKDM4E
SCHEMBL19083738 0.83 POLB (0.40) ACEMMEACE2MAPTKDM4E
SCHEMBL1349241 0.83 POLB (0.40) ACEMMEACE2MAPTKDM4E
SCHEMBL929188 0.81 ACE (0.51) ACEMMEACE2MAPTKDM4E
SCHEMBL24668413 0.81 ALDH1A1 (0.58) ACEMMEACE2MAPTFOLH1
SCHEMBL929192 0.81 ACE (0.51) ACEMMEACE2MAPTKDM4E

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
WO-2022084747-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed
WO-2022084739-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed
WO-2022084738-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed