SCHEMBL6159660

SCHEMBL6159660

COOC(C)(OOC)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6161894 0.81 GRIN2D (0.33) GLAMEN1MAPK1KMT2AGRIN2D
SCHEMBL14470623 0.71 GRIN2D (0.33) GLAMEN1MAPK1KMT2AGRIN2D
SCHEMBL13958646 0.70 MEN1 (0.33) GLAMEN1MAPK1KMT2AGRIN2D
SCHEMBL2825436 0.69 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19065026 0.69 GRIN2D (0.35) GLAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19454869 0.65 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1697212 0.65 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3664136 0.65 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL871816 0.65 GRIN2D (0.36) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL299469 0.65 GRIN2D (0.41) 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
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed