SCHEMBL13449229

SCHEMBL13449229

C[N+](C)(C)CC(O)CCC=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SLC22A16 Q86VW1 1/20 0.43
TSHR P16473 4/20 0.38
BLM P54132 2/20 0.36
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM4 P08173 2/20 0.32
TBXA2R P21731 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
CHRM3 P20309 2/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2C9 P11712 1/20 0.31
GALR3 O60755 1/20 0.31
HIF1A Q16665 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
SCHEMBL4263643 0.77 MAPT (0.44) MAPTSLC22A16TSHRBLMCHRM2
SCHEMBL12218470 0.77 MAPT (0.44) MAPTSLC22A16TSHRBLMCHRM2
SCHEMBL2457435 0.77
SCHEMBL6138531 0.75
SCHEMBL30849616 0.75 ALDH1A1 (0.33) TSHRBLMALDH1A1HIF1A
SCHEMBL22717093 0.74 LMNA (0.51) MAPTTSHRBLMSMN1; SMN2LMNA
SCHEMBL1134016 0.74
SCHEMBL8652672 0.74
SCHEMBL7297170 0.74
SCHEMBL21842 0.74

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-2010023384-A1 PHOTOSYNTHETIC MICROORGANISMS ENRICHED IN SELENIUM USING SELENOHYDROXY ACID COMPOUNDS, USES THEREOF IN NUTRITION, COSMETICS AND PHARMACY ECO SOLUTION (FR) 2010-03-04 WO disclosed