SCHEMBL7714550

SCHEMBL7714550

[CH2]C(CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
SLC22A2 O15244 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EPHX2 P34913 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
SCHEMBL7714826 0.78 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5306258 0.74 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL892217 0.74 SLC22A2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18010455 0.73 KMT2A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23111396 0.72 SLC22A2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12256147 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10457226 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5252707 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8344710 0.65 SLC22A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27514830 0.65 SLC22A2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
WO-1998034603-A1 USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-13 WO disclosed