SCHEMBL16631402

SCHEMBL16631402

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
HBB P68871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SELP P16109 1/20 0.35

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 0.90 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631255 0.84 SYNJ2 (0.39) TSHRLMNAMAPTPMP22SMN1; SMN2
SCHEMBL18079916 0.78 CDA (0.34) TSHRLMNA
SCHEMBL16631196 0.77 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631831 0.75
SCHEMBL16631401 0.75 SELP (0.34) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631846 0.74 TSHR (0.32) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631444 0.73
SCHEMBL18081700 0.72
SCHEMBL16631241 0.69 SYNJ2 (0.38) 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