SCHEMBL4788972

SCHEMBL4788972

CC(=O)Oc1nc(C2CCCCC2)cc2c1C(=O)OCC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.35
TACR3 P29371 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PSD A5PKW4 1/20 0.31
CNR2 P34972 1/20 0.31
KMO O15229 1/20 0.30

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
SCHEMBL4483308 0.79 L3MBTL1 (0.34) PGRMAPTMKNK1MKNK2KMO
SCHEMBL4786364 0.79 PGR (0.47) PGRESR1MAPT
SCHEMBL4245491 0.77 PGR (0.35) PGRMAPTTACR3CNR2
SCHEMBL4470420 0.77 HRH4 (0.36) PGR
SCHEMBL4467633 0.77 PSD (0.34) PGRPSD
SCHEMBL4788071 0.77 PGR (0.43) PGRESR1MAPT
SCHEMBL4785581 0.77 PGR (0.43) PGRMAPT
SCHEMBL4787901 0.76 PGR (0.44) PGRESR1MAPT
SCHEMBL4787509 0.76 PGR (0.44) PGRESR1MAPT
SCHEMBL4248613 0.73 KDM4E (0.43) CNR2

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