SCHEMBL21846792

SCHEMBL21846792

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ THPO P40225 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.42
▸ ACE P12821 1/20 0.39
▸ FOLH1 Q04609 1/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ GNPAT O15228 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ CA12 O43570 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
SCHEMBL13295204 0.81 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL26430637 0.81 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9962914 0.81 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923962 0.79 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437350 0.79 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.79 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5292 0.79 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923959 0.79 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL1384791 0.79 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4433757 0.79 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
EP-3201168-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LTD (IN) 2020-03-18 — — EP disclosed
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