SCHEMBL19970445

SCHEMBL19970445

C=C(C)C(=O)NCCNC(=O)CC(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.43
GRIK2 Q13002 5/20 0.43
GRM1 Q13255 1/20 0.43
GRM2 Q14416 1/20 0.43
OTC P00480 1/20 0.40
TGFBR1 P36897 1/20 0.39
SLC7A5 Q01650 1/20 0.37
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
GRIA4 P48058 3/20 0.35
GRIK3 Q13003 3/20 0.35
GRIK5 Q16478 3/20 0.35
NOD1 Q9Y239 1/20 0.35
GRIA2 P42262 2/20 0.34
GRIA1 P42261 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
SCHEMBL19970444 1.00 GRIK1 (0.43) GRIK1GRIK2GRM1GRM2OTC
SCHEMBL19970446 0.84 OTC (0.44) GRIK1GRIK2GRM1GRM2OTC
SCHEMBL19970447 0.84 OTC (0.44) GRIK1GRIK2GRM1GRM2OTC
SCHEMBL8176334 0.81 GRIK1 (0.47) GRIK1GRIK2GRM1GRM2TGFBR1
SCHEMBL10187386 0.81 NOS2 (0.43) GRIK1GRIK2GRM1GRM2OTC
SCHEMBL10187383 0.79 OTC (0.53) OTCNOD1
SCHEMBL6579587 0.78 GSR (0.48) OTC
SCHEMBL10063628 0.78 GSR (0.48) OTC
SCHEMBL686695 0.78 GSR (0.48) OTC
SCHEMBL10187391 0.77 GFPT1 (0.46) GRIK1GRIK2GRM1GRM2TGFBR1

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