SCHEMBL27314899

SCHEMBL27314899

CC=C(C)C(=O)O.CCC(O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
APEX1 P27695 2/20 0.31
MAPT P10636 1/20 0.31
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30
GAPDH P04406 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
SCHEMBL6278526 0.85 OR51E2 (0.36) PTGS1AKR1C3GRIK1GRIK2MAPT
SCHEMBL20477150 0.84 GPR84 (0.38)
SCHEMBL28060511 0.84 CHRM1 (0.39) GRIK1GRIK2TDP1TSHR
SCHEMBL20477152 0.84 GPR84 (0.38)
SCHEMBL2898940 0.84 CHRM1 (0.39) GRIK1GRIK2TDP1TSHR
Propane SCHEMBL6470808 0.84 PTGS1 (0.37) PTGS1AKR1C3GRIK1GRIK2MAPT
Alcohol SCHEMBL28165866 0.81 PTGS1 (0.36) PTGS1AKR1C3GRIK1GRIK2MAPT
SCHEMBL27614993 0.81 TP53 (0.40) PTGS1AKR1C3GRIK1GRIK2APEX1
Alcohol SCHEMBL28254049 0.81 PTGS1 (0.36) PTGS1AKR1C3GRIK1GRIK2MAPT
Butane SCHEMBL27898140 0.81 FFAR3 (0.36) PTGS1AKR1C3MAPTFFAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027497-C Methacrylic resin molded article and method for producing same KYOWA GAS CHEM IND CO LTD (JP) 1995-01-25 CN disclosed
CN-87100815-A Methacrylic resin molded article and method for producing same 1988-08-03 CN disclosed