SCHEMBL29587773

SCHEMBL29587773

CCCN(CCC)CC(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ DNM1 Q05193 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28214913 0.89 MAPT (0.42) TSHRMAPTALDH1A1CA12CA9
SCHEMBL29163463 0.87 MAPT (0.45) TSHRMAPTALDH1A1TDP1LMNA
SCHEMBL28761302 0.86 MAPT (0.47) MAPTALDH1A1LMNADNM1KDM4E
SCHEMBL29163479 0.86 MAPT (0.47) MAPTALDH1A1LMNADNM1KDM4E
SCHEMBL29163419 0.86 MAPT (0.47) MAPTALDH1A1LMNADNM1KDM4E
SCHEMBL29588658 0.86 MAPT (0.47) MAPTALDH1A1LMNADNM1KDM4E
SCHEMBL28225850 0.84 TSHR (0.41) TSHRMAPTALDH1A1CA12CA2
SCHEMBL22703844 0.83 TSHR (0.37) TSHRMAPTALDH1A1CA12CA2
SCHEMBL16782927 0.82 TSHR (0.42) TSHRMAPTALDH1A1CA12CA2
SCHEMBL21652470 0.81 TSHR (0.54) TSHRCA2CA1TDP1LMNA

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-114507303-A External electron donor for olefin polymerization, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2022-05-17 — — CN claimed
CN-114478870-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-05-13 — — CN claimed
CN-114507303-A External electron donor for olefin polymerization, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2022-05-17 — — CN disclosed
CN-114478870-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-05-13 — — CN disclosed
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