SCHEMBL16631578

SCHEMBL16631578

C#Cc1[nH]c(=O)ncc1[C@@H]1O[C@H](C)C(O)[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SELP P16109 2/20 0.32
SELL P14151 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL16631825 0.82 PYGL (0.43) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631575 0.81 TSHR (0.37) SELPSELLTSHRLMNAMAPT
SCHEMBL16631583 0.80 SELP (0.35) SELPSELLTSHRLMNAMAPT
SCHEMBL16631154 0.74 PYGL (0.36) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631528 0.73 PYGL (0.34) TSHRLMNAMAPT
SCHEMBL16631838 0.71 PYGL (0.40) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631425 0.70 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631194 0.69
SCHEMBL16631185 0.68
SCHEMBL16631290 0.68 TSHR (0.32) SELPSELLTSHRLMNAMAPT

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
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed