SCHEMBL27970775

SCHEMBL27970775

CC(=O)CCC(=O)OC(C)=O.[Fe]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.43
SLC15A2 Q16348 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32
PAOX Q6QHF9 1/20 0.32
PTGS1 P23219 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
TRPA1 O75762 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
SCHEMBL5273856 0.97 ALDH1A1 (0.56) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL11591970 0.95 ALDH1A1 (0.53) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL27851638 0.95 ALDH1A1 (0.53) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL28749707 0.92 ALDH1A1 (0.50) ALDH1A1TSHRLMNASLC15A2TDP1
Ethylene Glycol SCHEMBL28216321 0.90 ALDH1A1 (0.48) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL35205 0.89 ALDH1A1 (0.56) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL10776617 0.86 ALDH1A1 (0.53) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL9861711 0.86 ALDH1A1 (0.53) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL29195613 0.86 ALDH1A1 (0.62) ALDH1A1TSHRLMNASLC15A2TDP1
SCHEMBL339534 0.86 ALDH1A1 (0.62) ALDH1A1TSHRLMNASLC15A2TDP1

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-103917603-A Method of forming gel having improved thermal stability DOW CORNING 2014-07-09 CN disclosed