SCHEMBL28389780

SCHEMBL28389780

CCCCOC(C)OC(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CNR2 P34972 2/20 0.44
KLK7 P49862 5/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PAM P19021 1/20 0.41
CETP P11597 3/20 0.41

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
SCHEMBL28389293 0.84 TSHR (0.67) TSHRCNR2KLK7ALDH1A1MAPK1
SCHEMBL28389287 0.83 TSHR (0.53) TSHRCNR2ALDH1A1MAPK1L3MBTL1
SCHEMBL28393423 0.83 TSHR (0.53) TSHRCNR2KLK7ALDH1A1MAPK1
SCHEMBL15093325 0.79 LMNA (0.51) TSHRALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL9478307 0.79 TSHR (0.38) TSHRCNR2KLK7ALDH1A1TDP1
SCHEMBL9736825 0.78 TSHR (0.71) TSHRKLK7ALDH1A1MAPK1L3MBTL1
SCHEMBL456516 0.78 ALDH1A1 (0.59) TSHRALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL9479388 0.78 PLA2G4B (0.38) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL9480454 0.78 PLA2G4B (0.44) TSHRALDH1A1
SCHEMBL5042438 0.77 TSHR (0.60) TSHRCNR2ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778442-A Olefin polymerization catalyst solid component, preparation method thereof, olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-11 CN claimed
CN-112759683-A Olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-07 CN claimed
CN-111057169-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2023-02-28 CN disclosed
CN-111057168-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2022-07-12 CN disclosed
CN-112778442-A Olefin polymerization catalyst solid component, preparation method thereof, olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-11 CN disclosed
CN-112759683-A Olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-07 CN disclosed
CN-111057168-A Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2020-04-24 CN disclosed