SCHEMBL26430637

SCHEMBL26430637

CC(=O)N[C@H](CS)C(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
MAPT P10636 1/20 0.71
THRB P10828 1/20 0.71
ALOX15 P16050 1/20 0.71
NFKB1 P19838 1/20 0.71
PTGS2 P35354 1/20 0.71
THPO P40225 1/20 0.71
RECQL P46063 1/20 0.71
BLM P54132 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALDH1A1 P00352 1/20 0.45
ACE P12821 1/20 0.42
FOLH1 Q04609 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
GNPAT O15228 1/20 0.32
CTSS P25774 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
SCHEMBL13295204 1.00 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9962914 1.00 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL377413 0.86 KDM4E (0.65) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL435838 0.86 KDM4E (0.65) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12807977 0.86 KDM4E (0.65) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5292 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923962 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL149212 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3688241 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1

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-2023067387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF DERMAL AND OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-04-27 WO disclosed