SCHEMBL5732973

SCHEMBL5732973

CC(CC(=O)C(=O)OO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 2/20 0.33
BLM P54132 1/20 0.33
STING1 Q86WV6 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL1299792 0.83 EGLN1 (0.38) GABRR1CYP1A2
SCHEMBL1301448 0.82 TGFBR1 (0.39) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL4429511 0.76 GABRR1 (0.41) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL4488635 0.76 ALDH1A1 (0.35)
SCHEMBL12694135 0.75 GABRR1 (0.44) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL1130873 0.75 GABRR1 (0.44) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL13014514 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL28588639 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL17164603 0.69 CYP1A2 (0.55) GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL791253 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678313-A2 PRODUCTION OF MONATIN AND MONATIN PRECURSORS CARGILL, INCORPORATED (US) 2006-07-12 EP disclosed
WO-2005042756-A2 PRODUCTION OF MONATIN AND MONATIN PRECURSORS CARGILL, INCORPORATED (US) 2005-05-12 WO disclosed