SCHEMBL28213347

SCHEMBL28213347

C=CC(CCCCC)CC(=O)O.CC=C(C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL585947 0.86 GPR84 (0.53) GPR84LCKPPARDZDHHC20ZDHHC2
SCHEMBL8604484 0.85 GPR84 (0.56) GPR84LCKPPARDZDHHC20ZDHHC2
SCHEMBL28367216 0.85 GPR84 (0.56) GPR84LCKPPARDZDHHC20ZDHHC2
Methacrylic Acid SCHEMBL28861706 0.82 GPR84 (0.46) GPR84LCKPPARDZDHHC20ZDHHC2
SCHEMBL28335906 0.78 GPR84 (0.42) GPR84LCKPPARDZDHHC20ZDHHC2
SCHEMBL27533941 0.77 GPR84 (0.42) GPR84LCKPPARDZDHHC20ZDHHC2
Acrylic Acid Methyl Ester SCHEMBL28227085 0.75 GPR84 (0.42) GPR84ZDHHC20ZDHHC2FFAR1FFAR4
SCHEMBL8006389 0.74 GPR84 (0.39) GPR84ALDH1A1GRIK1GRIK2SLC1A2
SCHEMBL1105438 0.73 CA2 (0.42) GRIK1SLC1A2SLC1A1
SCHEMBL29833584 0.72 ALDH1A1 (0.40) GPR84PPARDFFAR1FFAR4ALDH1A1

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-107922779-A Surface conditioning agent, the manufacture method of overlay film and the metal material with overlay film 日本帕卡濑精株式会社 2018-04-17 CN disclosed