SCHEMBL28245271

SCHEMBL28245271

CC(=O)C[C@@H]1CCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACE P12821 4/20 0.36
REN P00797 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
LTA4H P09960 1/20 0.36
MAPT P10636 1/20 0.36
PEPD P12955 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL28245274 1.00 POLB (0.46) POLBL3MBTL1ACERENLMNA
SCHEMBL15233566 0.86 POLB (0.47) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL1122394 0.85 POLB (0.46) POLBL3MBTL1ACERENLMNA
SCHEMBL1777982 0.84 POLB (0.48) POLBL3MBTL1ACERENFFAR1
SCHEMBL4066863 0.84 POLB (0.48) POLBL3MBTL1ACERENFFAR1
SCHEMBL1777983 0.84 POLB (0.48) POLBL3MBTL1ACERENFFAR1
SCHEMBL12719567 0.81 CHRM2 (0.45) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL7522820 0.80 POLB (0.42) POLBL3MBTL1PEPDFFAR1RAB9A
SCHEMBL4444071 0.80 DPP4 (0.42) POLBL3MBTL1ACERENLMNA
SCHEMBL5643023 0.80 POLB (0.42) POLBL3MBTL1FFAR1RAB9A

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-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed