SCHEMBL28564455

SCHEMBL28564455

CCCOC(=O)c1ccccc1C(=O)OC(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
LMNA P02545 3/20 0.72
TSHR P16473 7/20 0.60
TDP1 Q9NUW8 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 2/20 0.58
TP53 P04637 1/20 0.58
ESR1 P03372 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6038433 0.91 TSHR (0.76) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL28553544 0.87 LMNA (0.59) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL28555477 0.87 LMNA (0.59) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL28543775 0.87 TSHR (0.72) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL19066309 0.86 ALDH1A1 (1.00) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL112063 0.86 ALDH1A1 (1.00) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL21567537 0.85 ALDH1A1 (0.77) ALDH1A1LMNATSHRTDP1L3MBTL1
Alcohol SCHEMBL4578564 0.84 TSHR (0.52) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL130761 0.84 LMNA (1.00) ALDH1A1LMNATSHRTDP1MAPK1
SCHEMBL7181498 0.84 LMNA (1.00) ALDH1A1LMNATSHRTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553711-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed