SCHEMBL24360276

SCHEMBL24360276

C[C@@H](CS)NC(=O)C(C)(C)S

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.38
MME P08473 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 3/20 0.32
ANPEP P15144 1/20 0.31
ENPEP Q07075 1/20 0.31
MMP3 P08254 2/20 0.31
MMP9 P14780 2/20 0.31

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
SCHEMBL24359869 1.00 ACE (0.38) ACEMMEACE2KDM4EMAPT
SCHEMBL24360274 1.00 ACE (0.38) ACEMMEACE2KDM4EMAPT
SCHEMBL23197955 0.83 ACE (0.34) ACEKDM4EMAPTTHRBALOX15
SCHEMBL21666433 0.83 MMP1 (0.45) ACEMMEACE2KDM4ESMN1; SMN2
SCHEMBL24668403 0.79 CA1 (0.37) ACEMMEACE2KDM4EMAPT
SCHEMBL24669397 0.79 CA1 (0.37) ACEMMEACE2KDM4EMAPT
SCHEMBL24668419 0.79 CA1 (0.37) ACEMMEACE2KDM4EMAPT
SCHEMBL20968348 0.77 ACE (0.39) ACEMMEACE2MAPTNFKB1
SCHEMBL24378316 0.75 KDM4E (0.44) ACEMMEACE2KDM4EMAPT
SCHEMBL24668382 0.75 ANPEP (0.37) ACEMMEACE2KDM4EMAPT

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

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