SCHEMBL27709702

SCHEMBL27709702

OCCC12C[C]3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.34
GRIN3B O60391 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2B Q13224 4/20 0.34
GRIN2C Q14957 4/20 0.34
GRIN3A Q8TCU5 4/20 0.34
EPHX2 P34913 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
ESR1 P03372 1/20 0.30
CYP2C9 P11712 1/20 0.30
ESR2 Q92731 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL2999134 0.83 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10414897 0.80 MEN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5644824 0.77 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL237474 0.75 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4344337 0.75 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL602384 0.72 GAA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23539449 0.70
SCHEMBL3821883 0.69
SCHEMBL216451 0.67 PKM (0.37) ALDH1A1
SCHEMBL7524766 0.67 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101027281-B Adamantane derivative, process for producing the same, and photosensitive material for photoresist IDEMITSU PETROCHEMICAL CO 2011-04-20 CN disclosed
CN-101671287-A Adamantane derivative and photosensitive material for photoresist IDEMITSU KOSAN CO 2010-03-17 CN disclosed
CN-101027281-A Adamantane derivative, process for producing the same, and photosensitive material for photoresist IDEMITSU KOSAN CO (JP) 2007-08-29 CN disclosed