SCHEMBL8775216

SCHEMBL8775216

CC(F)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.56
SLC47A1 Q96FL8 2/20 0.56
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
EPHX2 P34913 5/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC22A1 O15245 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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 0.77 SLC22A2 (0.62) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL677940 0.77 SLC22A2 (0.62) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL138375 0.77 SLC22A2 (0.62) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL22659848 0.75 GRIN1 (0.71) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL22659874 0.74 GRIN1 (0.69) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL7739624 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL7467574 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL2981 0.72 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL20409367 0.72 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL237472 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTNPC1ALDH1A1

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-1748469-A1 LIQUID FOR IMMERSION EXPOSURE AND IMMERSION EXPOSURE METHOD JSR Corporation (JP) 2007-01-31 EP disclosed
EP-0794801-A1 PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) HEMAGEN/PFC (US) 1997-09-17 EP disclosed
WO-1996016679-A1 PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) HEMAGEN/PFC (US) 1996-06-06 WO disclosed