SCHEMBL731668

SCHEMBL731668

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
BLM P54132 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK1 P39086 10/20 0.36
GRIK2 Q13002 7/20 0.36
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL729427 0.86 TSHR (0.33) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL729719 0.77
SCHEMBL7677597 0.77 GRIK1 (0.50) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL6048344 0.75 ABAT (0.33)
SCHEMBL250271 0.74 TSHR (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL250269 0.74 TSHR (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7660541 0.73
SCHEMBL45772 0.73
SCHEMBL8982707 0.70
SCHEMBL465931 0.70

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-8136676-B2 a membrane or fibers composed of or coated with methoxyethyl methacrylate/2-/-di(ethylene glycol)ethyl ether methacrylate-2-(diethylamino)ethyl methacrylate terpolymer for the selective removal, reduction or separation of white blood cells and/or platelets from blood by passing blood through the medium UNIVERSITY OF SOUTHAMPTON (GB) 2012-03-20 US disclosed
US-20080190843-A1 Polymers Useful as Medical Materials UNIVERSITY OF SOUTHAMPTON (GB) 2008-08-14 US disclosed