SCHEMBL29021876

SCHEMBL29021876

O=C(CCC(NS)C(=O)O)NC(CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.56
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGS1 P23219 1/20 0.48
GSTK1 Q9Y2Q3 1/20 0.48
NOD1 Q9Y239 5/20 0.46
ACE P12821 1/20 0.46
FNTA P49354 5/20 0.46
FNTB P49356 5/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.41
RIMKLA Q8IXN7 1/20 0.41
GNPAT O15228 1/20 0.40

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
SCHEMBL28524138 0.85 PTGS1 (0.71) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL1646531 0.85 PTGS1 (0.71) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL4990899 0.84 KDM4E (0.61) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL7060247 0.81 PTGS1 (0.67) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL929193 0.80 KDM4E (0.57) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL9347287 0.80 PTGS1 (0.70) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL2509561 0.80 PTGS1 (0.70) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL15420876 0.80 PTGS1 (0.70) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL15420877 0.80 PTGS1 (0.70) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL121501 0.80 PTGS1 (0.70) FOLH1KDM4EMAPTTHRBALOX15

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
CN-116144588-A Human umbilical cord mesenchymal stem cell cultivation method based on tumor necrosis factor alpha pretreatment 江苏圣澄干细胞科技有限公司 2023-05-23 CN claimed