SCHEMBL7303529

SCHEMBL7303529

CCCNC(=O)O[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.51
LAP3 P28838 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
BCHE P06276 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.34
CTSK P43235 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
SCHEMBL8896358 0.80 FOLH1 (0.49) FOLH1LAP3RNPEPSLC7A5ALDH1A1
SCHEMBL8610371 0.80 FOLH1 (0.49) FOLH1LAP3RNPEPSLC7A5ALDH1A1
SCHEMBL8896352 0.80 FOLH1 (0.49) FOLH1LAP3RNPEPSLC7A5ALDH1A1
SCHEMBL8610377 0.80 FOLH1 (0.49) FOLH1LAP3RNPEPSLC7A5ALDH1A1
SCHEMBL104010 0.75 ALOX15 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL7308675 0.74 FOLH1 (0.53) FOLH1LAP3RNPEPSLC7A5ALDH1A1
SCHEMBL11752273 0.74 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL7310650 0.73 ALDH1A1 (0.51) FOLH1ALDH1A1MAPT
SCHEMBL19301334 0.73 FOLH1 (0.50) FOLH1LAP3RNPEPSLC7A5ALDH1A1
SCHEMBL11419405 0.72 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4BCHE

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
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed