SCHEMBL29101802

SCHEMBL29101802

CCCCOC(=O)c1cccc(C)c1C(=O)OCCCC.Cc1cccc(C(=O)OCCC(C)C)c1C(=O)OCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 3/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 1/20 0.42
ESR1 P03372 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL4627946 0.95 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL21113716 0.92 TSHR (0.46) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL301815 0.91 TSHR (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627967 0.90 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627810 0.89 TSHR (0.46) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6908913 0.88 TSHR (0.47) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626793 0.88 TSHR (0.64) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627068 0.87 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28453374 0.87 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL21113658 0.86 TSHR (0.69) TSHRTDP1L3MBTL1CYP3A4MAPK1

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
CN-117924542-A Solid catalyst component for olefin polymerization, preparation method, catalyst and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117924544-A Solid catalyst component for olefin polymerization, preparation method thereof, catalyst and application thereof in olefin polymerization 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-112759677-B Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-08-15 CN disclosed