SCHEMBL28313752

SCHEMBL28313752

CC(C)(C)OC(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
SLC6A4 P31645 3/20 0.42
AOC3 Q16853 1/20 0.42
LMNA P02545 4/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL22508937 0.81 LMNA (0.42) RIPK1SLC6A4AOC3LMNASLC6A2
SCHEMBL20160535 0.78 CYP3A4 (0.43) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL9123555 0.78 ATM (0.41) RIPK1SLC6A4AOC3LMNASLC6A2
SCHEMBL2061580 0.77 LMNA (0.38) RIPK1LMNAKDM4EADRA2AADRA2C
SCHEMBL6558526 0.77 SLC6A4 (0.43) RIPK1SLC6A4AOC3LMNASLC6A2
SCHEMBL23032124 0.76 HTT (0.41) RIPK1SLC6A4LMNASLC6A2SLC6A3
SCHEMBL4004807 0.76 RIPK1 (0.39) RIPK1SLC6A4AOC3SLC6A3ATM
SCHEMBL11966010 0.74 RIPK1 (0.42) RIPK1SLC6A4LMNASLC6A2SLC6A3
SCHEMBL22959697 0.74 RIPK1 (0.42) RIPK1SLC6A4LMNASLC6A2SLC6A3
SCHEMBL9502842 0.74 RIPK1 (0.42) RIPK1SLC6A4LMNASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106729779-B Molecular probe imaging agent and preparation method thereof 中国科学院苏州生物医学工程技术研究所 2019-07-23 CN claimed
CN-119504372-A Method for synthesizing 4-tert-butoxy styrene 西安近代化学研究所 2025-02-25 CN disclosed
CN-119504372-A Method for synthesizing 4-tert-butoxy styrene 西安近代化学研究所 2025-02-25 CN disclosed
CN-106729779-B Molecular probe imaging agent and preparation method thereof 中国科学院苏州生物医学工程技术研究所 2019-07-23 CN disclosed