SCHEMBL5884812

SCHEMBL5884812

CCON=Cc1ccc(OCCC2CCN(c3nc4ccccc4o3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 2/20 0.43
LTA4H P09960 2/20 0.41
PDE10A Q9Y233 1/20 0.40
TSHR P16473 1/20 0.40
ATP4A P20648 6/20 0.39
ATP4B P51164 6/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL5883853 0.91 ATP4A (0.42) LMNAALDH1A1LTA4HPDE10ATSHR
SCHEMBL5884282 0.80 KMT2A (0.46) LMNAALDH1A1LTA4HPDE10ASMN1; SMN2
SCHEMBL9384155 0.79 LMNA (0.50) LMNAALDH1A1LTA4HTSHRHTT
SCHEMBL5884481 0.78 CTSS (0.39) PDE10AMAPTPOLBKMT2AGAA
SCHEMBL5883969 0.77 MAPT (0.39) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL5884766 0.76 NPY1R (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL5884893 0.76 GPR119 (0.44) KMT2A
SCHEMBL5884333 0.76 KCNH2 (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL5884689 0.76 KCNH2 (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL5884738 0.75 BCHE (0.43) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed