SCHEMBL16631401

SCHEMBL16631401

CC#Cc1[nH]c(=O)ccc1[C@@H]1O[C@H](C)C(O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SELP P16109 5/20 0.34
SELL P14151 2/20 0.34
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
SCHEMBL16631848 0.86
SCHEMBL16631583 0.85 SELP (0.35) SELPSELLTSHRLMNAMAPT
SCHEMBL16631240 0.83 SLC28A1 (0.41) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631444 0.76
SCHEMBL16631402 0.75 TSHR (0.36) SELPTSHRLMNAMAPTPMP22
SCHEMBL18079912 0.75 SLC28A3 (0.37)
SCHEMBL16631185 0.74
SCHEMBL16631335 0.69 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631827 0.68 DYRK1A (0.33)
SCHEMBL18079908 0.67 SLC28A1 (0.43) TSHRLMNAMAPTPMP22SMN1; SMN2

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