SCHEMBL28279408

SCHEMBL28279408

CCCCOC(=O)CCC(C)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL28279423 0.96 ALDH1A1 (0.51) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL28278500 0.86 TSHR (0.52) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL28279379 0.86 LMNA (0.46) TSHRALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL16366695 0.83 ALDH1A1 (0.62) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL2578004 0.83 ALDH1A1 (0.62) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL28279377 0.83 TDP1 (0.51) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL9511218 0.82 TSHR (0.53) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL28277996 0.82 LMNA (0.49) TSHRALDH1A1LMNATDP1MAPK1
SCHEMBL6546118 0.82 ALDH1A1 (0.69) TSHRALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL28551065 0.81 KMT2A (0.55) TSHRALDH1A1LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed
CN-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed