SCHEMBL10487652

SCHEMBL10487652

C=CCS(=O)(=O)OCCOCCOS(=O)(=O)CC=C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5571534 0.93 CA2 (0.41) CA2CA9
SCHEMBL5570901 0.83 CA2 (0.38) CA2CA9ALDH1A1TSHR
SCHEMBL5571536 0.83 CA2 (0.40) CA2CA9ALDH1A1TSHR
SCHEMBL5570905 0.81 CA2 (0.42) CA2CA9ALDH1A1TSHR
SCHEMBL5572565 0.81 CA2 (0.42) CA2CA9ALDH1A1TSHR
SCHEMBL5570908 0.81 CA2 (0.42) CA2CA9ALDH1A1TSHR
SCHEMBL5571069 0.81 CA2 (0.42) CA2CA9ALDH1A1TSHR
SCHEMBL4881310 0.79 CA2 (0.44) CA2CA9TSHR
SCHEMBL11444012 0.79 CA2 (0.35) CA2CA9
SCHEMBL22129572 0.77 CA2 (0.43) CA2CA9

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
JP-1201186-A None JP disclosed
JP-H01201186-A SOLID TRACK DETECTOR TORAY IND INC 1989-08-14 JP disclosed