SCHEMBL8401594

SCHEMBL8401594

CC(CN)OCCOCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
TSHR P16473 1/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
THRB P10828 1/20 0.32
GABRR1 P24046 2/20 0.30
LMNA P02545 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
SCHEMBL2950098 0.82 TSHR (0.35) TSHRCTHCBSTHPO
SCHEMBL12119519 0.82 TDP1 (0.41) TSHRCTHCBSTHPO
SCHEMBL9487587 0.81
SCHEMBL9488744 0.81
SCHEMBL9488015 0.81
SCHEMBL2946671 0.81 ALDH1A1 (0.34) TSHR
SCHEMBL1172477 0.81 TDP1 (0.32)
SCHEMBL2942853 0.81 ALDH1A1 (0.34) TSHR
SCHEMBL8004971 0.80 TSHR (0.36) TSHRCTHCBSTHPOTHRB
SCHEMBL2945712 0.79 ALDH1A1 (0.35) TSHRCTHCBSTHPOTHRB

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
US-5907055-A Use of triacids based on alkoxylated tertiary amines as complexing agents BASF AKTIENGESELLSCHAFT (DE) 1999-05-25 US disclosed