SCHEMBL29559136

SCHEMBL29559136

O=C(O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NO)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.72
GSTK1 Q9Y2Q3 1/20 0.72
GLO1 Q04760 4/20 0.50
FOLH1 Q04609 2/20 0.46
NOD1 Q9Y239 1/20 0.39
ACE P12821 2/20 0.38
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
MAPT P10636 2/20 0.38
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PGGT1B P53609 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 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
SCHEMBL27490732 1.00 PTGS1 (0.72) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL17629937 0.90 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1646531 0.90 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28862930 0.90 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1332941 0.90 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28524138 0.90 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29623583 0.90 PTGS1 (0.71) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL16112660 0.89 PTGS1 (0.66) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL23161509 0.89 PTGS1 (0.69) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL5463072 0.89 PTGS1 (0.73) PTGS1GSTK1GLO1FOLH1NOD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12163177-B2 Modified fatty acid biosynthesis with ACP-dependent thiolases Gonzalez, Ramon (US) 2024-12-10 US disclosed
US-20220251613-A1 MODIFIED FATTY ACID BIOSYNTHESIS WITH ACP-DEPENDENT THIOLASES GONZALEZ, RAMON 2022-08-11 US disclosed
US-11319562-B2 Modified fatty acid biosynthesis with ACP-dependent thiolases Gonzalez, Ramon (US) 2022-05-03 US disclosed