SCHEMBL20164994

SCHEMBL20164994

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 2/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GSR P00390 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 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
SCHEMBL130993 1.00 PMP22 (0.47) PMP22KMT2AALOX15BLMCYP1A2
SCHEMBL15369018 1.00 PMP22 (0.47) PMP22KMT2AALOX15BLMCYP1A2
SCHEMBL29779953 0.98 PMP22 (0.45) PMP22KMT2AALOX15BLMCYP1A2
SCHEMBL20527007 0.98 PMP22 (0.45) PMP22KMT2AALOX15BLMCYP1A2
SCHEMBL17707457 0.98 PMP22 (0.45) PMP22KMT2AALOX15BLMCYP1A2
SCHEMBL16143683 0.90 KMT2A (0.48) PMP22KMT2AALOX15BLMCYP1A2
SCHEMBL130992 0.85 TET2 (0.44) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL168205 0.85 TET2 (0.44) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL168206 0.85 TET2 (0.44) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL2800412 0.84 CYP1A2 (0.43) PMP22KMT2AALOX15BLMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190136157-A1 ENZYME-CONTAINING DETERGENT OR CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2019-05-09 US disclosed
US-20180142191-A1 USE OF A COMBINATION OF A COMPLEXING AGENT AND A SURFACTANT FOR IMPROVING RINSE PERFORMANCE HENKEL AG & CO. KGAA (DE) 2018-05-24 US disclosed