SCHEMBL28660598

SCHEMBL28660598

CC(C)OP(=O)(NCl)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
BCHE P06276 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28669001 0.72 ALDH1A1 (0.48) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL8066050 0.72 CTSA (0.43) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL9414582 0.67 KDM4E (0.36) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL3124225 0.67
SCHEMBL1614521 0.67 CTSA (0.50) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL24508587 0.67 CTSA (0.39) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL22823955 0.67 ALDH1A1 (0.48) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL80155 0.65 CTSA (0.56) CTSAACHEKDM4EALDH1A1L3MBTL1
SCHEMBL24509027 0.65 CTSA (0.37) CTSAACHEKDM4E
SCHEMBL27864401 0.65 CTSA (0.48) CTSAACHEKDM4EALDH1A1L3MBTL1

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-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 CN disclosed