SCHEMBL29206162

SCHEMBL29206162

C=CC(=O)OCCNC(=O)OCC1OC(=O)OC1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 2/20 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
SCHEMBL7871538 0.84 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13051495 0.76 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13899170 0.75 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24031881 0.72 ALDH1A1 (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12111976 0.72 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13872046 0.72 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13714844 0.72 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6253988 0.71 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7871528 0.71 CYP2C19 (0.35) TSHRCYP3A4
SCHEMBL10081623 0.70 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A

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-112533910-B Monoethylenically unsaturated monomers and their use 博斯蒂克股份公司 2024-05-10 CN disclosed