SCHEMBL28575140

SCHEMBL28575140

C=CCC(OCC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

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
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
THRB P10828 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
SCHEMBL7073739 0.79 PPARA (0.42) GRIK1GRIK2CYP2C19CPA1
SCHEMBL17489135 0.78 ABCC4 (0.35) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL11034749 0.78 GRIK1 (0.42) GRIK1GRIK2CYP2C19CPA1ABCC4
Acetic Acid SCHEMBL11160474 0.77 CPA1 (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL23994267 0.76 HTT (0.36) GRIK1GRIK2CYP2C19CPA1
SCHEMBL10901902 0.74
SCHEMBL14780782 0.74
SCHEMBL273058 0.73 TDP1 (0.42) GRIK1GRIK2CYP2C19CPA1TSHR
SCHEMBL38290 0.73 TDP1 (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL6477590 0.73 TSHR (0.36) TSHRCTHCBSTHPOTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112932786-A Fully-sealed goggles 陈振林 2021-06-11 CN claimed