SCHEMBL16631788

SCHEMBL16631788

O=C(OCCO)[C@@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.43
TSHR P16473 2/20 0.41
ACHE P22303 1/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL13788464 1.00 OR51E2 (0.43) OR51E2TSHRACHEMAPK1ALDH1A1
SCHEMBL822138 0.80 ACHE (0.39) TSHRACHEALDH1A1
SCHEMBL18175975 0.80 OR51E2 (0.40) OR51E2
SCHEMBL8766918 0.80 OR51E2 (0.40) OR51E2
SCHEMBL7769984 0.80 OR51E2 (0.40) OR51E2
SCHEMBL9001792 0.80 TSHR (0.38) TSHRACHEALDH1A1
SCHEMBL2559952 0.80 OR51E2 (0.40) OR51E2TSHRALDH1A1MEN1KMT2A
SCHEMBL3790908 0.80 GPR84 (0.36) TSHRACHE
SCHEMBL4183255 0.78 OR51E2 (0.44) OR51E2ALDH1A1
SCHEMBL5586417 0.78 TSHR (0.37) TSHRACHE

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