SCHEMBL28665145

SCHEMBL28665145

CCOC(=O)CC(CC(=O)OCC)(OC(=O)Cc1ccccc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
PPID Q08752 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP8 P22894 1/20 0.45
PAM P19021 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PIN1 Q13526 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL28665412 0.84 TSHR (0.45) ALDH1A1MAPK1L3MBTL1PAMSMN1; SMN2
SCHEMBL9068416 0.81 POLB (0.48) ALDH1A1PPIDMAPK1SMN1; SMN2PIN1
Acetic Acid SCHEMBL1865090 0.80 ALDH1A1 (0.63) ALDH1A1PPIDMAPK1L3MBTL1PAM
Acetone SCHEMBL28763046 0.80 ALDH1A1 (0.63) ALDH1A1PPIDMAPK1L3MBTL1PAM
SCHEMBL28192130 0.79 TSHR (0.54) ALDH1A1PPIDMAPK1L3MBTL1PIN1
SCHEMBL28184904 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1PAMSMN1; SMN2
SCHEMBL1873977 0.79 ALDH1A1 (0.68) ALDH1A1PPIDMAPK1L3MBTL1PAM
SCHEMBL112999 0.79 ALDH1A1 (0.68) ALDH1A1PPIDMAPK1L3MBTL1PAM
SCHEMBL1332625 0.79 ALDH1A1 (0.68) ALDH1A1PPIDMAPK1L3MBTL1PAM
Benzene SCHEMBL28160801 0.79 ALDH1A1 (0.68) ALDH1A1PPIDMAPK1L3MBTL1PAM

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-107417819-B Solid catalyst component for olefin polymerization, catalyst and application thereof 北京利和知信科技有限公司 2021-11-16 CN disclosed