SCHEMBL28760186

SCHEMBL28760186

C[N+](C)(C)C[C@H](CC(=O)O)OS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 4/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GMNN O75496 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HSP90AA1 P07900 2/20 0.46
BLM P54132 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
GLA P06280 1/20 0.45
PMP22 Q01453 1/20 0.45
HRH1 P35367 1/20 0.40
CYP2C19 P33261 1/20 0.38

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
SCHEMBL27528807 1.00 LMNA (0.56) LMNASMN1; SMN2CYP1A2MAPTMAPK1
Hydrochloric Acid SCHEMBL8896645 0.98 LMNA (0.59) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL4523555 0.84 LMNA (0.54) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL8747889 0.84 MEN1 (0.59) CYP1A2MAPTMEN1KMT2ATP53
SCHEMBL8747863 0.84 LMNA (0.39) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL5082339 0.84 MEN1 (0.59) CYP1A2MAPTMEN1KMT2ATP53
SCHEMBL9189329 0.84 MEN1 (0.59) CYP1A2MAPTMEN1KMT2ATP53
SCHEMBL3680644 0.84 LMNA (0.54) LMNASMN1; SMN2CYP1A2MAPTMAPK1
SCHEMBL9187836 0.84 MEN1 (0.59) CYP1A2MAPTMEN1KMT2ATP53
SCHEMBL5082341 0.84 MEN1 (0.59) CYP1A2MAPTMEN1KMT2ATP53

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
CN-1791615-A A process for the preparation of hydroxy polymer esters and their use CIBA SC HOLDING AG (CH) 2006-06-21 CN disclosed