SCHEMBL7619912

SCHEMBL7619912

CC(C)OC1(OC(C)C)CCCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
OPRK1 P41145 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
LMNA P02545 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN2B Q13224 1/20 0.30
CACNA1C Q13936 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL3676099 0.76 GRIN1 (0.34) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL12499996 0.74 GRIN1 (0.33) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL7776154 0.71
SCHEMBL10888167 0.71
SCHEMBL6333753 0.71
SCHEMBL6282686 0.69 MAPT (0.30)
SCHEMBL1627516 0.68
SCHEMBL8624879 0.67 ALDH1A1 (0.33) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL8461973 0.66 LMNA (0.34) GRIN1GRIN2AGRIN2DGRIN3BLMNA
SCHEMBL9663044 0.65 ALDH1A1 (0.35) SLC6A4GRIN1GRIN2AOPRK1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171446-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
EP-1171448-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
WO-2000063224-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed
WO-2000063225-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed