SCHEMBL28055946

SCHEMBL28055946

C=CC(C=C(C)C(=O)O)CCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
GRIK1 P39086 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GPR84 Q9NQS5 5/20 0.32
CA1 P00915 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
EP300 Q09472 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6472685 0.89 CA2 (0.42) CA2MAPK1TSHRLCKPPARD
SCHEMBL2350390 0.81 LCK (0.50) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL1702508 0.81 LCK (0.50) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL6534742 0.81 ALDH1A1 (0.30) TSHR
SCHEMBL1702463 0.77 CHRM1 (0.41) CA2MAPK1TSHRLCKPPARD
SCHEMBL4946239 0.76 CA2 (0.41) CA2MAPK1LCKPPARDZDHHC20
SCHEMBL22500748 0.76 CA2 (0.41) CA2MAPK1LCKPPARDZDHHC20
SCHEMBL28279029 0.76 CA2 (0.41) CA2MAPK1TSHRLCKPPARD
SCHEMBL8060421 0.76 ACHE (0.49) CA2MAPK1LCKPPARDZDHHC20
SCHEMBL25358201 0.74 TSHR (0.50) CA2MAPK1TSHRLCKPPARD

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-105732883-B A kind of preparation method for the water polyacrylic acid for emitting room temperature phosphorimetry 中国科学技术大学 2018-07-03 CN disclosed
CN-105732883-A Preparation method of water-borne polyacrylate for emitting room temperature phosphorescence 中国科学技术大学 2016-07-06 CN disclosed