SCHEMBL16631190

SCHEMBL16631190

Cc1cc([C@@H]2O[C@H](C)C(O)[C@@H]2O)c(F)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PMP22 Q01453 1/20 0.40
HBB P68871 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SELP P16109 5/20 0.36
SELL P14151 2/20 0.36
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
BRD4 O60885 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
SCHEMBL16631248 0.82 SLC5A2 (0.43) SLC5A1SLC5A2
SCHEMBL16631575 0.77 TSHR (0.37) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631579 0.75 SLC5A2 (0.37) SLC5A1SLC5A2
SCHEMBL18079920 0.71 P2RY2 (0.52)
SCHEMBL16631258 0.68 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631650 0.67
SCHEMBL16631425 0.67 TSHR (0.33) TSHRLMNAMAPTPMP22HBB
SCHEMBL16021207 0.67 KDM3B (0.38) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631605 0.66 SELP (0.32) SELPSELL
SCHEMBL4556771 0.66 TSHR (0.40) 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