SCHEMBL9166287

SCHEMBL9166287

CCCCOC(=O)CC(=O)CCCCCC(=O)CC(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.57
DGKA P23743 1/20 0.53
NAAA Q02083 1/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
HTR2C P28335 1/20 0.47
HAO1 Q9UJM8 1/20 0.46
DNM1 Q05193 1/20 0.45
EPHX2 P34913 6/20 0.44
ALDH1A1 P00352 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL1907893 0.93 FAAH (0.66) FAAHDGKANAAAHTR2CHAO1
SCHEMBL6138788 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL6138989 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL472723 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL3777425 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL3442509 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL6138882 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL6138705 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL6138462 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI
SCHEMBL3171122 0.91 HAO1 (0.55) FAAHDGKAGAAMGAMSI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572530-B1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEM CO (US) 1995-04-26 EP disclosed
EP-0572530-A1 THERMOSETTING COATING COMPOSITIONS. EASTMAN KODAK CO (US) 1993-12-08 EP disclosed
WO-1992014694-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN KODAK COMPANY (US) 1992-09-03 WO disclosed