SCHEMBL29014239

SCHEMBL29014239

CCCCCC(CC(=O)O)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.52
CPB2 Q96IY4 2/20 0.47
MMP2 P08253 6/20 0.47
MMP3 P08254 5/20 0.47
MMP1 P03956 3/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL481493 0.98 GPR84 (0.55) GPR84CPB2MMP2MMP3MMP1
SCHEMBL2643540 0.98 GPR84 (0.55) GPR84CPB2MMP2MMP3MMP1
SCHEMBL27622663 0.98 GPR84 (0.55) GPR84CPB2MMP2MMP3MMP1
Hexane SCHEMBL11311103 0.89 GPR84 (0.44) GPR84CPB2MMP2MMP3MMP1
SCHEMBL8361445 0.87 CPB2 (0.46) GPR84CPB2MMP2MMP3MMP1
Hexane SCHEMBL10375911 0.87 GPR84 (0.44) GPR84CA2CA1MAPK1
SCHEMBL28218803 0.86 HDAC1 (0.48) GPR84CPB2GRIK1GRIK2SLC1A2
SCHEMBL6560418 0.86 GPR84 (0.53) GPR84MMP2MMP3MMP1MMP7
SCHEMBL5180252 0.86 GPR84 (0.53) GPR84MMP2MMP3MMP1MMP7
SCHEMBL8749767 0.86 GPR84 (0.53) GPR84MMP2MMP3MMP1MMP7

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-114178292-B System and method for realizing co-production of various ester products by taking food waste as raw material 西安建筑科技大学 2023-06-06 CN disclosed