SCHEMBL4745235

SCHEMBL4745235

CN(C(=O)O)[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
DPP4 P27487 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
SCHEMBL29230313 0.79 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL29230314 0.79 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL3440469 0.79 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL5444709 0.78 DPP4 (0.31) DPP4
Hydrochloric Acid SCHEMBL29230337 0.77 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1
Hydrochloric Acid SCHEMBL29230339 0.77 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1
SCHEMBL57617 0.76 MMP13 (0.33)
SCHEMBL8703006 0.73 TP53 (0.33) ALDH1A1MAPTPTGS1
SCHEMBL27465305 0.73 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL29053822 0.72 ALDH1A1 (0.43) ALDH1A1

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
WO-2008104755-A1 SUCCINATE DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed