SCHEMBL9410682

SCHEMBL9410682

C=CC(NC(CS)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 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
ACE P12821 1/20 0.40
FOLH1 Q04609 1/20 0.38
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TGFBR1 P36897 1/20 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
SCHEMBL9334528 0.80 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2358771 0.80 KDM4E (0.44) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1023967 0.78 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8549832 0.78 LMNA (0.35) NFKB1BLM
SCHEMBL5691836 0.78 LMNA (0.35) NFKB1BLM
SCHEMBL27811130 0.74 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3075730 0.74 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3075725 0.74 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8596145 0.73 MAPT (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3884492 0.72

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-0588335-A1 Separation column and method for preventing its deterioration HITACHI, LTD. (JP) 1994-03-23 EP claimed