SCHEMBL8345146

SCHEMBL8345146

CC(C)[C@@](O)(CC#N)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
BCHE P06276 5/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8008297 0.81 FFAR1 (0.57) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL8343697 0.81 FFAR1 (0.57) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL8014867 0.79 FFAR1 (0.50) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL8008244 0.78 FFAR1 (0.49) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL8345213 0.74 LMNA (0.50) LTA4HBCHEFFAR1FFAR4LMNA
SCHEMBL8880568 0.73 LTA4H (0.64) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL8085894 0.72 MAOB (0.64) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL11623563 0.72 MAOB (0.55) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL8887471 0.71 LTA4H (0.60) MAOBLTA4HEPHX2BCHEFFAR1
SCHEMBL28064099 0.70 FFAR1 (0.58) MAOBLTA4HEPHX2FFAR1FFAR4

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-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO claimed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO disclosed