SCHEMBL3240320

SCHEMBL3240320

C=CC(C=C(CC)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GRIK1 P39086 9/20 0.36
GRIK2 Q13002 5/20 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
FFAR3 O14843 1/20 0.31
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 1/20 0.30

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
SCHEMBL3249505 0.81 GRIK1 (0.39) ALDH1A1GRIK1GRIK2GRIA2GRIA4
SCHEMBL2703569 0.79 GRIK1 (0.32) ALDH1A1TSHRGRIK1GRIK2GRIA2
SCHEMBL4654696 0.79 TSHR (0.45) TSHRGRIK1GRIK2GRIA2GRIA4
SCHEMBL3249472 0.78 GRIK1 (0.32) TSHRGRIK1GRIK2GRIA2GRIA4
SCHEMBL2545650 0.76 GRIK1 (0.39) TSHRGRIK1GRIK2GRIA2GRIA4
SCHEMBL1135819 0.74 ALDH1A1 (0.32) ALDH1A1GRIK1GRIK2GRIA2GRIA4
SCHEMBL27734834 0.74 GAPDH (0.37) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL3249368 0.73 TSHR (0.43) ALDH1A1TSHRGRIK1GRIK2GRIA2
SCHEMBL16880563 0.73
SCHEMBL12191191 0.73 GRIK1 (0.55) ALDH1A1TSHRGRIK1GRIK2GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957549-B1 POLYVINYLESTER SOLID RESINS HAVING HIGH POLYDISPERSITY WACKER CHEMIE AG (DE) 2010-05-19 EP claimed
EP-1957549-B1 POLYVINYLESTER SOLID RESINS HAVING HIGH POLYDISPERSITY WACKER CHEMIE AG (DE) 2010-05-19 EP disclosed
EP-1957549-A2 POLYVINYLESTER AND POLY(METH)ACRYLATE SOLID RESINS HAVING HIGH POLYDISPERSITY Wacker Polymer Systems GmbH & Co. KG (DE) 2008-08-20 EP disclosed
EP-1861462-A1 DISPERSION COMPOSITION FOR HIGHLY FLEXIBLE, WATERPROOF, HYDRAULICALLY BINDING TILE ADHESIVE Elotex AG (CH) 2007-12-05 EP disclosed
WO-2007065804-A2 POLYVINYLESTER AND POLY(METH)ACRYLATE SOLID RESINS HAVING HIGH POLYDISPERSITY WACKER POLYMER SYSTEMS GMBH & CO. KG (DE) 2007-06-14 WO disclosed
WO-2006099960-A1 DISPERSION COMPOSITION FOR HIGHLY FLEXIBLE, WATERPROOF, HYDRAULICALLY BINDING TILE ADHESIVE ELOTEX AG (CH) 2006-09-28 WO disclosed