SCHEMBL29883153

SCHEMBL29883153

COc1ccc(C(CC(=O)O)c2ccccc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.60
POLB P06746 2/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 1/20 0.52
PDE4D Q08499 5/20 0.51
PDE4A P27815 5/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACHE P22303 1/20 0.50
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL29174154 1.00 TNF (0.60) TNFPOLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL9115691 0.94 TNF (0.58) TNFPOLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7183447 0.90 PDE4A (0.64) TNFPOLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL29184115 0.89 TNF (0.59) TNFPOLBSMN1; SMN2PDE4DPDE4A
SCHEMBL27702960 0.88 GAA (0.52) TNFPOLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL12635172 0.86 TNF (0.52) TNFPOLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL6885590 0.85 PDE4A (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL29184126 0.84 POLB (0.52) TNFPOLBSMN1; SMN2PDE4DPDE4A
SCHEMBL4823564 0.83 PDE4D (0.57) TNFPOLBPDE4DPDE4APDE4B
SCHEMBL2890299 0.83 TNF (0.47) TNFPOLBSMN1; SMN2PDE4DPDE4A

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-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed