SCHEMBL4788071

SCHEMBL4788071

CCCc1cc2c(c(OC(C)=O)n1)C(=O)OCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
CLK1 P49759 1/20 0.31
RAB9A P51151 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
ESR1 P03372 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL4787509 0.90 PGR (0.44) PGRKMT2AALDH1A1NPC1CLK1
SCHEMBL4786364 0.81 PGR (0.47) PGRKMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL4787901 0.81 PGR (0.44) PGRALDH1A1ESR1MAPT
SCHEMBL4479814 0.80 MAOA (0.35) PGRKMT2APKML3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4247622 0.79 MAOA (0.35) PGRKMT2APKML3MBTL1ALDH1A1
SCHEMBL4247127 0.79 KDM4E (0.47) PGRKMT2APKML3MBTL1ALDH1A1
SCHEMBL4785581 0.79 PGR (0.43) PGRKMT2AALDH1A1KDM4EPOLB
SCHEMBL4071256 0.78 MAPT (0.36) KMT2APKML3MBTL1ALDH1A1HSD17B10
SCHEMBL4072001 0.77 BACE1 (0.40) KMT2APKML3MBTL1ALDH1A1HSD17B10
SCHEMBL4788972 0.77 PGR (0.46) PGRESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed