SCHEMBL28626767

SCHEMBL28626767

C=C(C)C(=O)OCCCOCCCOc1ccc(CCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
RARB P10826 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL29007046 0.97 POLB (0.61) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL23014454 0.97 POLB (0.53) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL7003272 0.96 POLB (0.60) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL28355151 0.92 HTT (0.67) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL27483797 0.92 HTT (0.67) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL28818378 0.92 HTT (0.67) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL8432913 0.92 ALDH1A1 (0.55) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL2154214 0.90 ALDH1A1 (0.58) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL68704 0.89 MEN1 (0.61) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL10033664 0.89 MEN1 (0.61) POLBAPEX1HTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929158-A Method for producing a denture, curable composition for photo-molding, and kit for producing a denture 株式会社德山齿科 2022-08-19 CN disclosed
CN-108024913-B Curable composition, curable composition for dentistry, and organic-inorganic composite particle for dentistry 德山齿科株式会社 2021-08-10 CN disclosed