SCHEMBL31377458

SCHEMBL31377458

O=C(OCCO)c1ccccc1C(=O)OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
MGLL Q99685 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL21801767 0.91 DHFR (0.59) DHFRTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL29374975 0.91 DHFR (0.59) DHFRTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL121520 0.91 DHFR (0.59) DHFRTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL28387457 0.86 DHFR (0.55) DHFRTSHRL3MBTL1MAPK1MGLL
SCHEMBL19827286 0.85 DHFR (0.40) DHFRTSHRALDH1A1L3MBTL1MAPK1
SCHEMBL529997 0.84 DHFR (0.54) DHFRALDH1A1L3MBTL1MAPK1MGLL
SCHEMBL21801769 0.84 DHFR (0.54) DHFRALDH1A1L3MBTL1MAPK1MGLL
SCHEMBL30541879 0.84 DHFR (0.54) DHFRALDH1A1L3MBTL1MAPK1MGLL
SCHEMBL27821762 0.84 DHFR (0.54) DHFRTSHRL3MBTL1MAPK1MGLL
SCHEMBL28644866 0.84 TSHR (0.43) DHFRTSHRALDH1A1L3MBTL1MAPK1

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
CN-119219578-A Preparation method of low-viscosity glycidyl acrylate 江苏集萃光敏电子材料研究所有限公司 2024-12-31 CN disclosed