Sugi Predict

Sugi Predict / Compounds / SCHEMBL28291119

SCHEMBL28291119

SCHEMBL28291119

COc1ccccc1Oc1ccccc1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ SLC6A2 P23975 3/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ AGTR1 P30556 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
SCHEMBL17820 0.87 IDO1 (0.57) CA1CA2CA12CA4CA7
SCHEMBL30829273 0.87 IDO1 (0.57) CA1CA2CA12CA4CA7
SCHEMBL5950358 0.87 SLC6A2 (0.50) MAPK1SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL28327254 0.85 TAAR1 (0.52) CA1CA2CA12CA4CA7
SCHEMBL5023545 0.82 CA12 (0.54) CA1CA2CA12CA4CA7
SCHEMBL28048174 0.82 IDO1 (0.52) CA1CA2CA12CA4CA7
SCHEMBL454111 0.80 CA1 (0.81) CA1CA2CA12CA4CA7
Hydrochloric Acid SCHEMBL3290381 0.78 TAAR1 (0.53) CA1CA2CA12CA4CA7
Phosphine SCHEMBL21796069 0.78 CA1 (0.77) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL23573009 0.78 CA1 (0.77) CA1CA2CA12CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110935481-B Catalyst for selective hydrogenolysis of aromatic ether bond, preparation and application thereof 中国科学院大连化学物理研究所 2022-02-22 — — CN claimed
CN-109704931-B Method for catalytic hydrogenolysis of lignin aryl ether bond by rhenium heptoxide 中国科学院大连化学物理研究所 2021-12-28 — — CN claimed
CN-107473944-B ReOxMethod for catalyzing and cracking lignin aromatic ether bond by AC 中国科学院大连化学物理研究所 2020-12-25 — — CN claimed
CN-110935481-A Catalyst for selective hydrogenolysis of aromatic ether bond, preparation and application thereof 中国科学院大连化学物理研究所 2020-03-31 — — CN claimed
CN-115043777-B Synthesis method of lignin-based quinoline derivative 中国科学院大连化学物理研究所 2023-12-19 — — CN disclosed
CN-115028590-B Lignin-based pyrimidine derivative synthesis method 中国科学院大连化学物理研究所 2023-12-19 — — CN disclosed
CN-117229194-A One-pot two-step lignin-based carbazole derivative synthesis method 中国科学院大连化学物理研究所 2023-12-15 — — CN disclosed
CN-115043777-A Synthesis method of lignin-based quinoline derivative 中国科学院大连化学物理研究所 2022-09-13 — — CN disclosed
CN-115028590-A Method for synthesizing lignin-based pyrimidine derivative 中国科学院大连化学物理研究所 2022-09-09 — — CN disclosed
CN-110935481-B Catalyst for selective hydrogenolysis of aromatic ether bond, preparation and application thereof 中国科学院大连化学物理研究所 2022-02-22 — — CN disclosed
CN-109704931-B Method for catalytic hydrogenolysis of lignin aryl ether bond by rhenium heptoxide 中国科学院大连化学物理研究所 2021-12-28 — — CN disclosed
CN-107473944-B ReOxMethod for catalyzing and cracking lignin aromatic ether bond by AC 中国科学院大连化学物理研究所 2020-12-25 — — CN disclosed
CN-110935481-A Catalyst for selective hydrogenolysis of aromatic ether bond, preparation and application thereof 中国科学院大连化学物理研究所 2020-03-31 — — CN disclosed
CN-110066677-A Ni-ReOx/Al2O3The method of Catalytic lignin liquid fuel was prepared 中国科学院大连化学物理研究所 2019-07-30 — — CN disclosed
CN-109704931-A The method of rhenium heptoxide catalytic hydrogenolysis lignin aryl oxide key 中国科学院大连化学物理研究所 2019-05-03 — — CN disclosed