SCHEMBL28975076

SCHEMBL28975076

CCCCOC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.CCCCOC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.CCCCOC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL31581217 1.00 ESR1 (0.58) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL25379900 1.00 ESR1 (0.58) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL25381779 1.00 ESR1 (0.58) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL25379588 1.00 ESR1 (0.58) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL27538405 0.94 ESR1 (0.53) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL27795483 0.94 ESR1 (0.53) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL25289990 0.92 ALDH1A1 (0.56) ESR1TSHRALDH1A1MAPK1LMNA
SCHEMBL28659559 0.92 ALDH1A1 (0.56) ESR1TSHRALDH1A1MAPK1LMNA
SCHEMBL11153151 0.92 ALDH1A1 (0.56) ESR1TSHRALDH1A1MAPK1LMNA
SCHEMBL28571887 0.92 ALDH1A1 (0.56) ESR1TSHRALDH1A1MAPK1LMNA

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-115746182-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2024-03-26 CN disclosed
CN-115746177-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2024-03-26 CN disclosed
CN-115806637-B Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2024-03-26 CN disclosed
CN-115806636-B Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2024-02-13 CN disclosed
CN-115806635-B Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2024-02-13 CN disclosed
CN-115806638-B Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2024-02-13 CN disclosed
CN-115698786-A Laminated film, polarizing plate and liquid crystal display device 柯尼卡美能达株式会社 2023-02-03 CN disclosed
CN-113831433-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2023-01-03 CN disclosed