SCHEMBL29033353

SCHEMBL29033353

CCCCCCCCCCCCCCC(O)C(=O)OCC(O)COC(=O)C(O)CCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.57
FFAR1 O14842 2/20 0.57
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
LPAR6 P43657 1/20 0.47
LPAR1 Q92633 1/20 0.47
LPAR4 Q99677 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
ENPP2 Q13822 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL10869134 1.00 GPR84 (0.57) GPR84FFAR1KDM4EDUSP3MEN1
SCHEMBL1123654 0.91 KDM4E (0.63) GPR84FFAR1KDM4EDUSP3MEN1
SCHEMBL1123305 0.91 KDM4E (0.63) GPR84FFAR1KDM4EDUSP3MEN1
SCHEMBL127957 0.91 KDM4E (0.63) GPR84FFAR1KDM4EDUSP3MEN1
SCHEMBL19281558 0.89 KDM4E (0.60) GPR84FFAR1KDM4EDUSP3MEN1
Ethylene Glycol SCHEMBL27039396 0.88 KDM4E (0.59) GPR84FFAR1KDM4EDUSP3MEN1
SCHEMBL1695574 0.87 GPR84 (0.55) GPR84FFAR1LMNAFFAR4ZDHHC7
SCHEMBL21801012 0.87 GPR84 (0.55) GPR84FFAR1FFAR4ZDHHC7MAPT
Sulfuric Acid SCHEMBL28346044 0.85 KDM4E (0.56) GPR84FFAR1KDM4EDUSP3MEN1
SCHEMBL1277825 0.85 GPR84 (0.64) GPR84FFAR1KDM4EDUSP3MEN1

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-116413345-A Method for determining glyceride components in Kanglite 上海济煜医药科技有限公司 2023-07-11 CN disclosed