SCHEMBL8539644

SCHEMBL8539644

CC(C)(C)[Si](c1ccccc1)(c1ccccc1)C1(n2cc(F)c(=O)[nH]c2=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
HBB P68871 1/20 0.33
PYGM P11217 3/20 0.32
TK2 O00142 2/20 0.32
P2RY2 P41231 1/20 0.31
NT5E P21589 1/20 0.31
P2RY6 Q15077 1/20 0.31
P2RY14 Q15391 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
SCHEMBL5668664 0.87 TK1 (0.39) TK2
SCHEMBL6851558 0.86 TK1 (0.34) TK2
SCHEMBL9030188 0.81 P2RY2 (0.41) SMN1; SMN2P2RY2
SCHEMBL9029503 0.81 P2RY2 (0.41) SMN1; SMN2P2RY2
SCHEMBL6468417 0.73 PNP (0.41) MAPT
SCHEMBL8004041 0.73 LMNA (0.42) LMNASMN1; SMN2MAPT
SCHEMBL8469095 0.73 RNASE1 (0.37) TK2
SCHEMBL9396543 0.72 RNASE1 (0.39) TK2
SCHEMBL6537910 0.72 LMNA (0.46) LMNASMN1; SMN2TSHRMAPTPMP22
SCHEMBL1740177 0.70 LMNA (0.47) LMNASMN1; SMN2TSHRMAPTPMP22

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