SCHEMBL28601595

SCHEMBL28601595

CCOC(=O)CC(=CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
KDM4E B2RXH2 3/20 0.54
TSHR P16473 1/20 0.54
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL3504490 1.00 GAA (0.54) GAAMGAMSIMGAM2KDM4E
SCHEMBL29777553 0.86 GAA (0.52) GAAMGAMSIMGAM2KDM4E
SCHEMBL27781924 0.83 GAA (0.58) GAAMGAMSIMGAM2KDM4E
SCHEMBL15741505 0.81 TSHR (0.60) GAAMGAMSIMGAM2KDM4E
SCHEMBL5472413 0.81 TSHR (0.60) GAAMGAMSIMGAM2KDM4E
SCHEMBL10259507 0.81 TSHR (0.60) GAAMGAMSIMGAM2KDM4E
SCHEMBL5879637 0.80 GAA (0.54) GAAMGAMSIMGAM2KDM4E
SCHEMBL1289878 0.79 KDM4E (0.62) KDM4ETSHR
SCHEMBL28316643 0.78 TSHR (0.52) KDM4ETSHR
SCHEMBL28942452 0.78 TSHR (0.83) KDM4ETSHRNPSR1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117215151-A Preparation method and application of negative high refractive index OC photoresist and photo-curing pattern with good hydrophilic performance 西安思摩威新材料有限公司 2023-12-12 CN claimed
CN-117369213-A Preparation method and application of flexible high-refractive-index negative OC photoresist and photo-curing pattern 西安思摩威新材料有限公司 2024-01-09 CN disclosed
CN-113181137-B pH-responsive nanoparticle-mediated RNA nano-drug and preparation method thereof 中山大学孙逸仙纪念医院 2023-04-18 CN disclosed
CN-113181137-A pH-responsive nanoparticle-mediated RNA nano-drug and preparation method thereof 中山大学孙逸仙纪念医院 2021-07-30 CN disclosed