SCHEMBL11877415

SCHEMBL11877415

O=C(O)[C@@]12CCC[C@H]1[C@@H]1CC[C@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.33
HSD17B10 Q99714 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL2325064 1.00 SLC1A2 (0.33) SLC1A2HSD17B10GRIN1GRIN2B
SCHEMBL1626704 1.00 SLC1A2 (0.33) SLC1A2HSD17B10GRIN1GRIN2B
Fluoride SCHEMBL5826000 0.98 SLC1A2 (0.32) SLC1A2HSD17B10GRIN1GRIN2B
SCHEMBL5641047 0.84 HSD17B10 (0.30) HSD17B10
SCHEMBL12451512 0.84 HSD17B10 (0.30) HSD17B10GRIN1GRIN2B
SCHEMBL11383093 0.80 NPSR1 (0.33) GRIN1GRIN2B
SCHEMBL11878328 0.80 NPSR1 (0.33) GRIN1GRIN2B
SCHEMBL11882807 0.80 NPSR1 (0.33) GRIN1GRIN2B
SCHEMBL1773391 0.76 MAPK1 (0.33) HSD17B10
SCHEMBL756488 0.76 MAPK1 (0.33) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976712-A 2,4-Exo-ethanobicyclo (3.3.1)nonane KAO SOAP CO., LTD. (JA) 1976-08-24 US disclosed