SCHEMBL21986236

SCHEMBL21986236

C=C(CCCS(C)(=O)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
TET2 Q6N021 4/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
APEX1 P27695 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6030920 0.86 TET2 (0.35) TET2TET3TET1APEX1GRIK1
SCHEMBL184599 0.81 TBXAS1 (0.37) TBXAS1TET2TET3TET1APEX1
SCHEMBL22984 0.80 APP (0.41) TBXAS1TET2LMNATET3TET1
Ammonia Solution, Strong SCHEMBL5050825 0.78 APP (0.39) TBXAS1TET2LMNATET3TET1
SCHEMBL15646946 0.78 APP (0.39) TBXAS1TET2LMNATET3TET1
SCHEMBL9574853 0.78 APP (0.39) TBXAS1TET2LMNATET3TET1
SCHEMBL15859186 0.78 APP (0.39) TBXAS1TET2LMNATET3TET1
Tetramethylammonium Ion SCHEMBL27836380 0.78 APP (0.35) TBXAS1TET2
SCHEMBL5178932 0.77 ALDH1A1 (0.41) TBXAS1TET2ALDH1A1LMNATP53
SCHEMBL11287302 0.77 TBXAS1 (0.40) TBXAS1TET2LMNATET3TET1

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-3659575-A1 PHOTOPOLYMERISABLE DENTAL COMPOSITES WITH FAST CURING AND LOW SHRINKAGE STRESS Ivoclar Vivadent AG (LI) 2020-06-03 EP claimed
EP-3659575-A1 PHOTOPOLYMERISABLE DENTAL COMPOSITES WITH FAST CURING AND LOW SHRINKAGE STRESS Ivoclar Vivadent AG (LI) 2020-06-03 EP disclosed