SCHEMBL20527007

SCHEMBL20527007

NC(=O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 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
SCHEMBL17707457 1.00 PMP22 (0.45) PMP22ALOX15BLMKMT2AGRM8
SCHEMBL130993 0.98 PMP22 (0.47) PMP22ALOX15BLMKMT2AGRM8
SCHEMBL15369018 0.98 PMP22 (0.47) PMP22ALOX15BLMKMT2AGRM8
SCHEMBL20164994 0.98 PMP22 (0.47) PMP22ALOX15BLMKMT2AGRM8
SCHEMBL29779953 0.96 PMP22 (0.45) PMP22ALOX15BLMKMT2AGRM8
SCHEMBL16143683 0.88 KMT2A (0.48) PMP22ALOX15BLMKMT2AGRM8
SCHEMBL22194080 0.86 TET2 (0.43) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL22194081 0.86 TET2 (0.43) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL4995749 0.86 TET2 (0.43) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL652367 0.86 TET2 (0.43) GRM8GRM6GRIN2DGRIN3BGSR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210148041-A1 TREATMENT OF TEXTILE MATERIAL ACTICELL GMBH (AT) 2021-05-20 US disclosed
US-10900166-B2 Treatment of textile material ACTICELL GMBH (AT) 2021-01-26 US disclosed
US-20180291553-A1 TREATMENT OF TEXTILE MATERIAL ACTICELL GMBH (AT) 2018-10-11 US disclosed