SCHEMBL18735107

SCHEMBL18735107

CCC(=O)NC(CSC(=O)CC(=O)SCC(NC(C)=O)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NOD1 Q9Y239 3/20 0.39
▸ GNPAT O15228 1/20 0.38
▸ PSMB11 A5LHX3 1/20 0.38
▸ PSMA7 O14818 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMA1 P25786 1/20 0.38
▸ PSMA2 P25787 1/20 0.38
▸ PSMA3 P25788 1/20 0.38
▸ PSMA4 P25789 1/20 0.38

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
SCHEMBL18734973 0.87 NOD1 (0.41) NOD1GNPATFOLH1CYP2C9PIN1
SCHEMBL17164972 0.85 NOD1 (0.45) NOD1GNPATFOLH1CYP2C9PIN1
SCHEMBL17164973 0.85 NOD1 (0.45) NOD1GNPATFOLH1CYP2C9PIN1
SCHEMBL17164985 0.81 GNPAT (0.43) NOD1GNPATFOLH1
SCHEMBL17164986 0.81 GNPAT (0.43) NOD1GNPATFOLH1
SCHEMBL18720196 0.77 ITGB1 (0.41) NOD1FOLH1
Dacisteine SCHEMBL2402188 0.77 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
Dacisteine SCHEMBL1814125 0.77 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4907662 0.77 ITGB1 (0.45) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4955697 0.77 NOD1 (0.42) ALDH1A1NOD1FOLH1CYP2C9PIN1

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-2017060400-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
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