SCHEMBL7779212

SCHEMBL7779212

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIA4 P48058 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIK5 Q16478 1/20 0.41
FFAR3 O14843 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7779220 1.00 GRIK1 (0.41) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL5597687 0.90 TP53 (0.40) GRIK1GRIA4GRIK3GRIK5TSHR
SCHEMBL8051853 0.90 TP53 (0.40) GRIK1GRIA4GRIK3GRIK5TSHR
SCHEMBL5597686 0.90 TP53 (0.40) GRIK1GRIA4GRIK3GRIK5TSHR
SCHEMBL5611085 0.83 GRIK1 (0.42) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL5611081 0.83 GRIK1 (0.42) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL42601 0.79 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL101165 0.79 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL42603 0.79 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL27220816 0.78 GRIK1 (0.56) GRIK1GRIA4GRIK3GRIK5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892822-B1 LIQUID CURABLE RESIN COMPOSITION DSM NV (NL) 2001-08-29 EP disclosed
US-6063888-A POLYDIMETHYLSILOXANE COMPOUND WHICH HAS AT LEAST TWO URETHANE BONDS IN ONE MOLECULE, AN UNREACTIVE ORGANIC GROUP ON AT LEAST END, AND A RADICAL CURABLE ETHYLENICALLY UNSATURATED GROUP AT OTHER END; SHELF LIFE; OPTICAL FIBER COATINGS BUNDLES DSM N.V. (NL) 2000-05-16 US disclosed
EP-0892822-A1 LIQUID CURABLE RESIN COMPOSITION DSM N.V. (NL) 1999-01-27 EP disclosed
WO-1997038035-A1 LIQUID CURABLE RESIN COMPOSITION DSM N.V. (NL) 1997-10-16 WO disclosed