SCHEMBL28899012

SCHEMBL28899012

CCCCCCCCCCCCCCCCCC(CCCCCCCC)OC(=O)C(CC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.59
CA1 P00915 4/20 0.59
MAPK1 P28482 2/20 0.50
ZDHHC7 Q9NXF8 1/20 0.43
FAAH O00519 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL1490741 1.00 CA2 (0.59) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL535672 1.00 CA2 (0.59) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL1274961 1.00 CA2 (0.59) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL866148 1.00 CA2 (0.59) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL22471739 0.98 CA2 (0.56) CA2CA1MAPK1ZDHHC7FAAH
2-Ethylhexanoic Acid SCHEMBL9543013 0.94 CA2 (0.62) CA2CA1MAPK1GRIK1GRIK2
Ether SCHEMBL3957556 0.94 CA2 (0.53) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL2304371 0.93 CA2 (0.55) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL473755 0.93 CA2 (0.59) CA2CA1MAPK1ZDHHC7FAAH
SCHEMBL2305289 0.93 CA2 (0.55) CA2CA1MAPK1ZDHHC7FAAH

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-115397814-A Amidate compound, method for producing same, blocking agent dissociation catalyst, and thermosetting resin composition 广荣化学株式会社 2022-11-25 CN disclosed