SCHEMBL16631583

SCHEMBL16631583

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SELP P16109 4/20 0.35
SELL P14151 2/20 0.35
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL16631185 0.88
SCHEMBL16631401 0.85 SELP (0.34) SELPSELLTSHRLMNAMAPT
SCHEMBL18079908 0.81 SLC28A1 (0.43) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631578 0.80 SELP (0.32) SELPSELLTSHRLMNAMAPT
SCHEMBL16631173 0.73 SLC28A1 (0.38) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631848 0.72
SCHEMBL16631240 0.69 SLC28A1 (0.41) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631196 0.68 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631194 0.68
SCHEMBL16631847 0.66

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