SCHEMBL30865017

SCHEMBL30865017

C=CC(=O)OCCOC(=O)NCCCCCCNC(=O)OC(C)C(C)(C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL25993937 0.83 ACHE (0.46) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL5942991 0.80 TSHR (0.59) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL11511294 0.80 TSHR (0.59) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL25993798 0.80 TSHR (0.44) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL14565949 0.80 ACHE (0.46) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL13872040 0.79 TSHR (0.55) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL4238484 0.79 ACHE (0.39) ACHETDP1TSHRCA12CA1
SCHEMBL22190112 0.78 TSHR (0.52) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL26574747 0.77 TSHR (0.66) ACHETSHRALDH1A1CYP3A4HPGD
SCHEMBL14998174 0.77 TSHR (0.60) ACHETSHRALDH1A1CYP3A4HPGD

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-117794497-A Monomer mixture for preparing dental materials 穆尔鲍尔科技公司 2024-03-29 CN disclosed