SCHEMBL7877321

SCHEMBL7877321

N=C(CCC(=O)OC(=O)CCCCCCCCCO)OC(=O)CCCCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
DGKA P23743 1/20 0.31
CAMK2A Q9UQM7 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
SCHEMBL20704565 0.85 GPR84 (0.55) GPR84FFAR1FFAR4GAAKDM4E
SCHEMBL11617141 0.85 GPR84 (0.55) GPR84FFAR1FFAR4GAAKDM4E
SCHEMBL8764754 0.85 GPR84 (0.55) GPR84FFAR1FFAR4GAAKDM4E
SCHEMBL14246770 0.85 GPR84 (0.55) GPR84FFAR1FFAR4GAAKDM4E
SCHEMBL905699 0.84 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1
SCHEMBL905720 0.84 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1
SCHEMBL905402 0.84 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1
SCHEMBL1230057 0.84 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1
SCHEMBL379359 0.84 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1
SCHEMBL1870547 0.84 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1

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
US-6320041-B1 COMPOSITIONS COMPRISING ACTIVATED CARBOXYLIC ESTER MOIETY, ALKYL TETHER AND NUCLEIC ACID BINDING MOIETY TRILINK BIOTECHNOLOGIES, INC. 2001-11-20 US disclosed