SCHEMBL8909532

SCHEMBL8909532

COCC(=O)OC(=O)CC/C(=N/O)OC(=O)COC

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.34

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
SCHEMBL731664 0.82 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL733088 0.80 ALDH1A1 (0.62) ALDH1A1TSHR
SCHEMBL14973637 0.79 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL5968591 0.78 EGLN1 (0.39) ALDH1A1TSHR
SCHEMBL4098529 0.77 MGAM (0.41) ALDH1A1TSHR
SCHEMBL1768486 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10972290 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL781568 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL942008 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL775538 0.76 ALDH1A1 (0.43) ALDH1A1TSHR

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-5614549-A TAXANES ENZON, INC. (US) 1997-03-25 US disclosed