SCHEMBL16834836

SCHEMBL16834836

CCCCCCCCCCCCCCCCCCOCC1CCC(COCCCCCCCCCCCCCCCCCC)O1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.41
CES2 O00748 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
PTAFR P25105 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
SCHEMBL16834772 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834676 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16853064 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834667 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834837 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16834544 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16853084 1.00 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16853028 0.94 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL16853027 0.94 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL18135612 0.94 ALDH1A1 (0.65) ALDH1A1TDP1SMN1; SMN2TSHRMEN1

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-3083576-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF Archer Daniels Midland Company (US) 2016-10-26 EP disclosed
WO-2015094970-A1 MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2015-06-25 WO disclosed