SCHEMBL5736685

SCHEMBL5736685

BC(c1ccccc1)P(C12CC3CC(C1)CC(C(C)(C)C)(C3)C2)C12CC3CC(C1)CC(C(C)(C)C)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
EPHX2 P34913 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
SCHEMBL2848151 0.93
SCHEMBL5471270 0.88 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2826953 0.80 SIGMAR1 (0.41) SIGMAR1EPHX2
SCHEMBL4061204 0.74 SIGMAR1 (0.34) SIGMAR1EPHX2
SCHEMBL5734637 0.73 HSD11B1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14340464 0.71 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1735134 0.68
SCHEMBL27968929 0.65 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1735132 0.63 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1423465 0.63

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-1713582-A1 A CATALYST SYSTEM Lucite International UK Limited (GB) 2006-10-25 EP disclosed
WO-2005079981-A1 A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2005-09-01 WO disclosed