SCHEMBL8539642

SCHEMBL8539642

CC(C)(C)[Si](O[C@H]1C(n2cc(F)c(=O)[nH]c2=O)O[C@H](CO)[C@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK2 O00142 5/20 0.44
PYGM P11217 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
P2RY6 Q15077 2/20 0.44
P2RY14 Q15391 2/20 0.44
NT5E P21589 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
PMP22 Q01453 1/20 0.44
HBB P68871 1/20 0.44
P2RY2 P41231 1/20 0.41

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
SCHEMBL9226205 0.83 LMNA (0.50) TK2PYGMLMNASMN1; SMN2P2RY6
SCHEMBL9226210 0.83 LMNA (0.50) TK2PYGMLMNASMN1; SMN2P2RY6
SCHEMBL7811414 0.82 P2RY6 (0.54) PYGMLMNASMN1; SMN2P2RY6P2RY14
SCHEMBL9029499 0.82 P2RY2 (0.51) TK2PYGMP2RY2
SCHEMBL9030185 0.82 P2RY2 (0.51) TK2PYGMP2RY2
SCHEMBL10643570 0.79 TK2 (0.45) TK2
SCHEMBL10647357 0.79 TK2 (0.45) TK2
SCHEMBL10642490 0.79 DNPH1 (0.40) TK2P2RY6P2RY14NT5EP2RY2
SCHEMBL10646803 0.79 DNPH1 (0.40) TK2P2RY6P2RY14NT5EP2RY2
SCHEMBL10644559 0.78 TK2 (0.37) TK2P2RY6P2RY14NT5EP2RY2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851866-A1 THERAPEUTIC COMPOUNDS Oxford GlycoSciences (UK) Limited (GB) 1998-07-08 EP disclosed
WO-1997000882-A1 THERAPEUTIC COMPOUNDS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 1997-01-09 WO disclosed