SCHEMBL8841242

SCHEMBL8841242

CC(=O)OC(C)(C#N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL7931339 0.81 GAA (0.37) GAA
SCHEMBL8841250 0.78 DGAT1 (0.39) GAAALDH1A1
SCHEMBL10011715 0.76 GAA (0.36) GAAALDH1A1TSHR
SCHEMBL10835420 0.74 MEN1 (0.44) GAAALDH1A1TSHR
SCHEMBL6155938 0.73 GAA (0.41) GAAALDH1A1TSHRCTSSCTSK
SCHEMBL585284 0.73
SCHEMBL18672365 0.70 GAA (0.37) GAAALDH1A1TSHR
SCHEMBL7699870 0.70 GAA (0.38) GAAALDH1A1
SCHEMBL7699871 0.70 GAA (0.38) GAAALDH1A1
SCHEMBL22321689 0.70 GAA (0.38) GAA

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-5652371-A 3-imino-3-alkoxy-propionic acid lactates and their tautomeric acrylic acid lactates BAYER AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed