SCHEMBL5050690

SCHEMBL5050690

CC(C)C12C[C]3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SLC22A2 O15244 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 2/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL455611 0.73 SLC22A2 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL138375 0.73 SLC22A2 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3293369 0.70 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2395911 0.69 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31493460 0.67
SCHEMBL25216482 0.67 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL216451 0.65 PKM (0.37) ALDH1A1
SCHEMBL5670500 0.65
SCHEMBL3512411 0.65 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4436229 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 WO claimed
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 WO disclosed
EP-0393256-A1 Aminoalkyl naphthalenediols as host resistance enhancers against viral infection MERCK & CO. INC. (US) 1990-10-24 EP disclosed
US-4925831-A TREATING OPPORTUNISTIC INFECTIONS IN IMMUNOCOMPROMISED HOSTS MERCK & CO., INC. (US) 1990-05-15 US disclosed
US-4923852-A Aminoalkyl naphthalenediols as host resistance enhancers against viral infections MERCK & CO., INC. (US) 1990-05-08 US disclosed
US-4894392-A BACTERICIDES, FUNGICIDES, INFECTIONS MERCK & CO., INC. (US) 1990-01-16 US disclosed
US-4835177-A Aminoalkyl naphthalenediols as host resistance enhancers against viral infection MERCK & CO., INC. (US) 1989-05-30 US disclosed