SCHEMBL28115017

SCHEMBL28115017

C=C(C)C(=O)OCCOc1ccc(CCCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL67938 0.94 MEN1 (0.59) POLBAPEX1HTTTDP1TSHR
SCHEMBL10029272 0.93 POLB (0.58) POLBAPEX1HTTTDP1TSHR
SCHEMBL25402465 0.93 POLB (0.61) POLBAPEX1HTTTDP1TSHR
SCHEMBL2154214 0.91 ALDH1A1 (0.58) POLBAPEX1HTTTDP1TSHR
SCHEMBL14477491 0.91 MEN1 (0.66) POLBAPEX1HTTTDP1TSHR
SCHEMBL68457 0.91 POLB (0.60) POLBAPEX1HTTTDP1TSHR
SCHEMBL8006616 0.90 POLB (0.59) POLBAPEX1HTTTDP1TSHR
SCHEMBL7003272 0.89 POLB (0.60) POLBAPEX1HTTTDP1TSHR
SCHEMBL28725903 0.88 POLB (0.63) POLBAPEX1HTTTDP1TSHR
SCHEMBL14981830 0.88 POLB (0.54) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106176250-B Tooth adhesive system based on new hydrophobic adhesion concept 浙江大学 2020-06-23 CN claimed
CN-106137774-B Pit and fissure sealant based on tooth surface hydrophobization concept 浙江大学 2020-04-17 CN claimed
CN-106176250-B Tooth adhesive system based on new hydrophobic adhesion concept 浙江大学 2020-06-23 CN disclosed
CN-106137774-B Pit and fissure sealant based on tooth surface hydrophobization concept 浙江大学 2020-04-17 CN disclosed
CN-106176250-A Tooth bonding agent system based on hydrophobic bonding new concept 浙江大学 2016-12-07 CN disclosed