SCHEMBL9505136

SCHEMBL9505136

C=C(CC(OC(=O)CC(C)=O)OC(=O)CC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TET2 Q6N021 3/20 0.39
TET3 O43151 1/20 0.39
TET1 Q8NFU7 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL944289 0.84 MGAM (0.39) MGAMGAASIMGAM2TET2
SCHEMBL3819166 0.82 MGAM (0.38) MGAMGAASIMGAM2
SCHEMBL5605894 0.80 MGAM (0.35) MGAMGAASIMGAM2
SCHEMBL5615545 0.74 MGAM (0.48) MGAMGAASIMGAM2
SCHEMBL1142576 0.74 MGAM (0.36) MGAMGAASIMGAM2
SCHEMBL8814019 0.73 MGAM (0.43) MGAMGAASIMGAM2
Methacrylic Acid SCHEMBL29104897 0.72 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL4339087 0.72 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL1142153 0.71 FAAH (0.40) MGAMGAASIMGAM2
SCHEMBL1141992 0.71 MGAM (0.34) MGAMGAASIMGAM2

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-0258988-B1 MASTIC AND CAULKING COMPOSITIONS AND COMPOSITE ARTICLES ROHM AND HAAS COMPANY (US) 1993-06-16 EP claimed