SCHEMBL28686605

SCHEMBL28686605

CC(=O)OOP(=O)(O)Oc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 4/20 0.50
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PTK2B Q14289 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MMP13 P45452 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL28931711 0.83 CES2 (0.39) LMNACES2CES1MEN1KMT2A
SCHEMBL28678889 0.83 CYP3A4 (0.48) TSHRCYP3A4LMNACES2CES1
SCHEMBL157866 0.82 TSHR (0.67) TSHRCYP3A4LMNACES2CES1
SCHEMBL28680426 0.81 TSHR (0.47) TSHRCYP3A4LMNACES2CES1
Fluoride SCHEMBL31047203 0.81 TSHR (0.64) TSHRCYP3A4LMNACES2CES1
SCHEMBL8884790 0.81 TSHR (0.64) TSHRCYP3A4LMNACES2CES1
SCHEMBL1983846 0.81 TSHR (0.64) TSHRCYP3A4LMNACES2CES1
SCHEMBL28680544 0.79 LMNA (0.47) TSHRCYP3A4LMNACES2CES1
SCHEMBL28687038 0.78 CYP3A4 (0.43) TSHRCYP3A4LMNACES2CES1
SCHEMBL28676549 0.77 TSHR (0.50) TSHRCYP3A4LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN claimed
CN-113929797-A Solid catalyst component and catalyst system for producing polymers 中国石油化工股份有限公司 2022-01-14 CN claimed
CN-113929798-A Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2022-01-14 CN claimed
CN-113929799-A Catalyst component for olefin polymerization, catalyst system and application 中国石油化工股份有限公司 2022-01-14 CN claimed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN disclosed
CN-113929797-A Solid catalyst component and catalyst system for producing polymers 中国石油化工股份有限公司 2022-01-14 CN disclosed
CN-113929798-A Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2022-01-14 CN disclosed
CN-113929799-A Catalyst component for olefin polymerization, catalyst system and application 中国石油化工股份有限公司 2022-01-14 CN disclosed