SCHEMBL5609729

SCHEMBL5609729

CCCCCCCCCCCCCCCCC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
PKM P14618 1/20 0.39
HSD11B1 P28845 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL14696671 0.93 MAPT (0.43) EPHX2MAPTHPGDGRIN2DGRIN3B
SCHEMBL25398209 0.87 GRIN2D (0.45) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25398211 0.87 GRIN2D (0.45) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6904455 0.85 MAPT (0.44) MAPTHPGDGRIN2DGRIN3BGRIN1
SCHEMBL5713357 0.85 GRIN2D (0.47) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL657934 0.79 GRIN2D (0.62) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5000664 0.79 GRIN2D (0.45) EPHX2MAPTGRIN2DGRIN3BGRIN1
SCHEMBL27620610 0.79 GRIN2D (0.59) EPHX2MAPTGRIN2DGRIN3BGRIN1
SCHEMBL8947159 0.79 GRIN2D (0.59) EPHX2MAPTGRIN2DGRIN3BGRIN1
SCHEMBL4301888 0.79 GRIN2D (0.59) EPHX2MAPTGRIN2DGRIN3BGRIN1

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
EP-1789376-A1 SYNTHESIS PROCESS FOR 2-(3-HYDROXY-1-ADAMANTYL)-2-OXOACETIC ACID ALBEMARLE CORPORATION (US) 2007-05-30 EP disclosed
WO-2006034175-A1 SYNTHESIS PROCESS FOR 2-(3-HYDROXY-1-ADAMANTYL)-2-OXOACETIC ACID ALBEMARLE CORPORATION (US) 2006-03-30 WO disclosed