SCHEMBL29212697

SCHEMBL29212697

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 9/20 0.37
ALDH1A1 P00352 8/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
FGFR4 P22455 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30211149 0.97 LMNA (0.38) LMNATSHRALDH1A1TP53HIF1A
SCHEMBL5144521 0.85 TSHR (0.42) LMNATSHRALDH1A1TP53HIF1A
SCHEMBL27179211 0.83 LMNA (0.40) LMNATSHRALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL27831731 0.79 ALDH1A1 (0.41) LMNATSHRALDH1A1TP53HIF1A
SCHEMBL278164 0.78
SCHEMBL491816 0.77
Acrylic Acid SCHEMBL27891975 0.77 LMNA (0.62) LMNATSHRALDH1A1TP53HIF1A
SCHEMBL4142785 0.77 HCAR2 (0.38) TSHRALDH1A1TP53
SCHEMBL28441606 0.77 HCAR2 (0.38) TSHRALDH1A1TP53
Acrylic Acid SCHEMBL27689602 0.77 LMNA (0.62) LMNATSHRALDH1A1TP53HIF1A

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-118054070-A Polyacrylate gel polymer electrolyte containing oxalate group and preparation method and application thereof 北京化工大学 2024-05-17 CN disclosed