SCHEMBL16631196

SCHEMBL16631196

C#Cc1[nH]c(=O)cc(F)c1[C@@H]1O[C@H](C)C(O)[C@@H]1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16631335 0.87 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631846 0.85 TSHR (0.32) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631175 0.83 CDA (0.35) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631185 0.78
SCHEMBL16631402 0.77 TSHR (0.36) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631194 0.76
SCHEMBL16631241 0.76 SYNJ2 (0.38) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL16631598 0.73 LGALS3 (0.35) TSHRLMNA
SCHEMBL18079916 0.72 CDA (0.34) TSHRLMNA
SCHEMBL16631583 0.68 SELP (0.35) TSHRLMNAMAPTPMP22HBB

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