SCHEMBL9853438

SCHEMBL9853438

C=CCC(NC(=O)OC(C)(C)C)(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CTSK P43235 11/20 0.35
CTSS P25774 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9853432 0.76 PTPRB (0.44) MAPTCTSKSMN1; SMN2CA1CA7
SCHEMBL9306468 0.74 ALDH1A1 (0.32) MAPTGAAKDM4E
SCHEMBL5779132 0.72 POLB (0.37) MAPTCTSKCTSSSMN1; SMN2
SCHEMBL5806972 0.72 ALDH1A1 (0.32) MAPTGAAKDM4E
SCHEMBL866121 0.72 PKM (0.36) MAPTMEN1KMT2AKDM4E
SCHEMBL17579881 0.71 PTPRB (0.40) MAPTCTSKGAA
SCHEMBL17580349 0.71 AAK1 (0.37) CTSKCTSSSMN1; SMN2CTSB
SCHEMBL17579914 0.71 PTPRB (0.34) CTSKCTSL
SCHEMBL31252175 0.70 MAPT (0.39) MAPTCTSKCTSSSMN1; SMN2CTSL
SCHEMBL1433275 0.70 MAPT (0.40) MAPTCTSKCTSSSMN1; SMN2CTSL

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-0417803-A1 [N-(gamma-glutamyl)glycyl] alanine derivatives SANDOZ LTD. (CH) 1991-03-20 EP disclosed