SCHEMBL7211564

SCHEMBL7211564

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cc(I)c(NC(=O)OC2CCC2)nc1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 2/20 0.32
ADK P55263 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8192203 0.88 LMNA (0.41) LMNASMN1; SMN2ALDH1A1
SCHEMBL8193206 0.86 LMNA (0.41) LMNASMN1; SMN2ADKALDH1A1
SCHEMBL7210264 0.86 LMNA (0.41) LMNASMN1; SMN2ADKALDH1A1
SCHEMBL7204504 0.86 LMNA (0.51) LMNASMN1; SMN2ADK
SCHEMBL8192660 0.85 LMNA (0.42) LMNASMN1; SMN2ADKALDH1A1
SCHEMBL7209690 0.85 LMNA (0.42) LMNASMN1; SMN2ADKALDH1A1
SCHEMBL3817265 0.85 LMNA (0.46) LMNASMN1; SMN2ACHEADKALDH1A1
SCHEMBL3817191 0.83 LMNA (0.51) LMNASMN1; SMN2ACHEADKALDH1A1
SCHEMBL3821749 0.82 LMNA (0.56) LMNASMN1; SMN2ADKALDH1A1TSHR
SCHEMBL8193927 0.81 LMNA (0.49) LMNASMN1; SMN2ADKALDH1A1

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
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed