SCHEMBL1029946

SCHEMBL1029946

C=CCC(OC(C)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CYP2C19 P33261 1/20 0.36
CPA1 P15085 1/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 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
SCHEMBL14780782 0.78
SCHEMBL11034749 0.78 GRIK1 (0.42) GRIK1GRIK2CYP2C19CPA1LMNA
SCHEMBL24299506 0.77 GRIK1 (0.33) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL5703489 0.76 TSHR (0.40) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL7167837 0.76 TSHR (0.40) GRIK1GRIK2TSHRALOX15CHRM2
SCHEMBL7073739 0.75 PPARA (0.42) GRIK1GRIK2CYP2C19CPA1
SCHEMBL28010130 0.75 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL6291341 0.74
SCHEMBL10901902 0.74
SCHEMBL31469524 0.74 TDP1 (0.50) TSHRALOX15CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160417-B1 CROSSLINKABLE POLYMER DISPERSIONS, COATING COMPOSITIONS COMPRISING THEM AND USE THEREOF CELANESE EMULSIONS GMBH (DE) 2011-01-19 EP disclosed
EP-2160417-A1 CROSSLINKABLE POLYMER DISPERSIONS, COATING COMPOSITIONS COMPRISING THEM AND USE THEREOF Celanese Emulsions GmbH (DE) 2010-03-10 EP disclosed
WO-2009000379-A1 CROSSLINKABLE POLYMER DISPERSIONS, COATING COMPOSITIONS COMPRISING THEM AND USE THEREOF CELANESE EMULSIONS GMBH (DE) 2008-12-31 WO disclosed