SCHEMBL29940577

SCHEMBL29940577

CC(=O)Oc1cccc(C)c1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.68
KDM4E B2RXH2 5/20 0.62
HSD17B10 Q99714 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.54
ACHE P22303 2/20 0.51
BLM P54132 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL1143040 1.00 PTPN1 (0.68) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5212814 0.87 MAPK1 (0.71) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2059537 0.87 KDM4E (0.71) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5338823 0.85 KDM4E (0.56) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11249189 0.83 PTPN1 (0.57) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7565582 0.82 PTPN1 (0.51) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL742810 0.82 ACHE (0.62) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL31229899 0.82 ACHE (0.62) PTPN1KDM4EHSD17B10ALDH1A1HPGD
Acetic Acid SCHEMBL28743775 0.82 KDM4E (0.70) PTPN1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL18066345 0.81 PTPN1 (1.00) PTPN1KDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308615-A1 SPHERICAL CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION W. R. Grace & Co.-Conn (US) 2024-01-24 EP disclosed
CN-117355546-A Spherical catalyst component for olefin polymerization 格雷斯公司 2024-01-05 CN disclosed
WO-2022197491-A1 SPHERICAL CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION W.R. GRACE & CO.-CONN. (US) 2022-09-22 WO disclosed