SCHEMBL30892452

SCHEMBL30892452

O=C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.55
PTGER1 P34995 8/20 0.53
XDH P47989 1/20 0.50
FOLH1 Q04609 1/20 0.48
MCL1 Q07820 1/20 0.46
TBXA2R P21731 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL24983586 1.00 P4HTM (0.55) P4HTMPTGER1XDHFOLH1MCL1
SCHEMBL16740982 0.83 PTGER1 (0.58) P4HTMPTGER1XDHFOLH1TBXA2R
SCHEMBL16727133 0.83 P4HTM (0.54) P4HTMPTGER1XDHMCL1NR4A1
SCHEMBL24006156 0.83 P4HTM (0.54) P4HTMPTGER1XDHMCL1NR4A1
SCHEMBL10592187 0.82 MCL1 (0.50) P4HTMPTGER1XDHFOLH1MCL1
SCHEMBL4652574 0.79 APP (0.67) P4HTMMCL1APPMEN1KMT2A
SCHEMBL1093052 0.79 P4HTM (0.49) P4HTMPTGER1XDHFOLH1
SCHEMBL14719211 0.78 P4HTM (0.51) P4HTMPTGER1FOLH1MCL1NR4A1
SCHEMBL6591502 0.78 HDAC3 (0.61) P4HTMPTGER1MEN1KMT2A
SCHEMBL15577719 0.77 L3MBTL1 (0.47) APP

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-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed