SCHEMBL6547144

SCHEMBL6547144

C[C@]12CC[C@H](OS(=O)(=O)O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 16/20 0.78
GRIN2B Q13224 16/20 0.78
GRIN2D O15399 3/20 0.78
GRIN2A Q12879 3/20 0.78
GRIN2C Q14957 3/20 0.78

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
SCHEMBL5452789 1.00 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15753075 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253209 0.88 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15921393 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15753296 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL14880426 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL17164619 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL17164640 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19733234 0.88 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253156 0.86 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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-1379542-A2 TREATMENT OF TUMOURS Hagström, Tomas (SE) 2004-01-14 EP disclosed
WO-2002072003-A2 USE OF STEROID DERIVATIVES FOR THE TREATMENT OF A BENIGHN AND/OR MALIGNANT TUMOUR HAGSTROEM TOMAS (SE) 2002-09-19 WO disclosed