SCHEMBL28080467

SCHEMBL28080467

COc1cccc(-c2oc3c(O)c(OC)c(OC)c(O)c3c(=O)c2O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 4/20 0.65
GAA P10253 3/20 0.65
TP53 P04637 4/20 0.59
CYP3A4 P08684 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 2/20 0.59
HPGD P15428 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
CYP2C19 P33261 1/20 0.59
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL29386526 0.94 MAPT (0.60) MAPTKDM4EALDH1A1GAATP53
SCHEMBL20740118 0.94 MAPT (0.60) MAPTKDM4EALDH1A1GAATP53
SCHEMBL28996853 0.93 MAPT (0.60) MAPTKDM4EALDH1A1GAATP53
SCHEMBL28518373 0.91 MAPT (0.58) MAPTKDM4EALDH1A1GAATP53
SCHEMBL28702242 0.89 MAPT (0.60) MAPTKDM4EALDH1A1GAATP53
SCHEMBL30050183 0.88 MAPT (0.65) MAPTKDM4EALDH1A1GAATP53
SCHEMBL30049710 0.86 MAPT (0.56) MAPTKDM4EALDH1A1GAATP53
SCHEMBL8009070 0.85 KDM4E (0.87) MAPTKDM4EALDH1A1GAATP53
SCHEMBL28657635 0.84 MAPT (0.62) MAPTKDM4EALDH1A1GAATP53
SCHEMBL28121912 0.83 TUBB4A (0.65) MAPTKDM4ETP53CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279653-A Compounds for the treatment of ocular diseases and disorders 以色列国家农业和农村发展农业研究组织沃尔坎尼中心 2023-12-22 CN claimed
CN-106102757-B Anti-neuritis and protective compounds in yarrow 以色列国家农业部、农村发展农业研究组织·沃尔卡尼中心 2021-06-25 CN claimed
CN-118176008-A Pelargonium graveolens extract for treating traumatic brain injury 以色列国家农业与农村发展部农业研究组织(ARO)(Volciti 中心) 2024-06-11 CN disclosed
CN-117279653-A Compounds for the treatment of ocular diseases and disorders 以色列国家农业和农村发展农业研究组织沃尔坎尼中心 2023-12-22 CN disclosed
CN-117279653-A Compounds for the treatment of ocular diseases and disorders 以色列国家农业和农村发展农业研究组织沃尔坎尼中心 2023-12-22 CN disclosed
CN-106102757-B Anti-neuritis and protective compounds in yarrow 以色列国家农业部、农村发展农业研究组织·沃尔卡尼中心 2021-06-25 CN disclosed
CN-106102757-A Neuritis and protectiveness compound in the Achillea ageratum of pole 以色列国家农业部、农村发展农业研究组织·沃尔卡尼中心 2016-11-09 CN disclosed