SCHEMBL19970447

SCHEMBL19970447

C=C(C)C(=O)NCCNC(=O)CCC(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.44
NOD1 Q9Y239 5/20 0.44
ALDH1A1 P00352 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GSR P00390 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43

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
SCHEMBL19970446 1.00 OTC (0.44) OTCNOD1ALDH1A1GRM8GRM6
SCHEMBL10187386 0.85 NOS2 (0.43) OTCGRM8GRM6GRIN2DGRIN3B
SCHEMBL29590846 0.85 SLC1A1 (0.58) OTCNOD1ALDH1A1GRM8GRM6
SCHEMBL19970444 0.84 GRIK1 (0.43) OTCNOD1GRIK1GRIA1GRIA2
SCHEMBL19970445 0.84 GRIK1 (0.43) OTCNOD1GRIK1GRIA1GRIA2
SCHEMBL10187383 0.83 OTC (0.53) OTCNOD1GSRCYP1A2KMT2A
SCHEMBL8176286 0.82 GRM8 (0.47) NOD1GRM8GRM6GRIN2DGRIN3B
SCHEMBL686695 0.82 GSR (0.48) OTCGSRCYP1A2KMT2ABLM
SCHEMBL6579587 0.82 GSR (0.48) OTCGSRCYP1A2KMT2ABLM
SCHEMBL10063628 0.82 GSR (0.48) OTCGSRCYP1A2KMT2ABLM

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
US-9919250-B2 Filters for oil-water separation having zwitterionic polymers coated or grafted thereon THE UNIVERSITY OF AKRON (US) 2018-03-20 US claimed