SCHEMBL9336384

SCHEMBL9336384

C=C(CCC(Cl)CO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.35
TET3 O43151 1/20 0.35
TET1 Q8NFU7 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXAS1 P24557 2/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4938556 0.83 TET2 (0.35) TET2TET3TET1GRIK1GRIK2
SCHEMBL5544540 0.79 TET2 (0.39) TET2TET3TET1GRIK1GRIK2
SCHEMBL3273628 0.78 TET2 (0.40) TET2TET3TET1GRIK1GRIK2
SCHEMBL5426723 0.77 TET2 (0.43) TET2TET3TET1GRIK1GRIK2
SCHEMBL11599685 0.77 TET2 (0.48) TET2TET3TET1GRIK1GRIK2
SCHEMBL5275612 0.77 TET2 (0.38) TET2TET3TET1GRIK1GRIK2
SCHEMBL22814784 0.77
SCHEMBL4939024 0.76 TET2 (0.37) TET2TET3TET1GRIK1GRIK2
SCHEMBL243507 0.76 TET2 (0.41) TET2TET3TET1GRIK1GRIK2
SCHEMBL1513881 0.75 PDE4A (0.47) TET2TET3TET1GRIK1GRIK2

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
US-20160122501-A1 RUBBER COMPOSITION COMPRISING EMULSION-POLYMERIZED CONJUGATED DIENE POLYMER AND SILICA SUSPENSION, AND METHOD FOR PRODUCING SAME ETIC INC. (JP) 2016-05-05 US disclosed
EP-0371821-B1 A process for the production of substituted acryloyloxyhydroxypropyltrialkylammonium chloride RHONE POULENC SPEC CHIM (US) 1994-05-25 EP disclosed
US-5008444-A Reacting halohydroxypropyl (meth)acrylate with trialkylamine in nonsolvent for quaternary salt POLYPURE, INC. (US) 1991-04-16 US disclosed
EP-0371821-A1 A process for the production of substituted acryloyloxyhydroxypropyltrialkylammonium chloride RHONE-POULENC SPECIALTY CHEMICALS CO. (US) 1990-06-06 EP disclosed