SCHEMBL7308675

SCHEMBL7308675

CC(C)C[C@H](OC(=O)NC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.53
LAP3 P28838 2/20 0.42
POLB P06746 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SCN9A Q15858 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CPA1 P15085 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
SCHEMBL3222189 0.81 POLB (0.37) FOLH1LAP3POLBSCN9A
SCHEMBL3222193 0.81 POLB (0.37) FOLH1LAP3POLBSCN9A
SCHEMBL28262175 0.81 FOLH1 (0.36) FOLH1LAP3POLBALDH1A1SCN9A
SCHEMBL27858273 0.81 FOLH1 (0.36) FOLH1LAP3POLBSCN9A
SCHEMBL29120907 0.80 FOLH1 (0.35) FOLH1POLBSCN9A
SCHEMBL24939389 0.76 CA1 (0.35) FOLH1POLBALDH1A1CTSLCTSB
SCHEMBL27753796 0.76 SLC7A5 (0.36) FOLH1LAP3POLBRNPEPSLC7A5
SCHEMBL28773695 0.75 CTSK (0.38) POLBCTSLCTSBCTSSCTSK
SCHEMBL27726431 0.75 CTSK (0.38) LAP3POLBRNPEPSLC7A5CTSL
SCHEMBL27910718 0.75 CTSK (0.38) LAP3POLBRNPEPSLC7A5CTSL

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