SCHEMBL6678151

SCHEMBL6678151

CCCN(C=C(CC)C(N)=O)CCC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL27602132 0.88 CA1 (0.35) CA12CA2CA9
SCHEMBL2314790 0.83
SCHEMBL6446570 0.81 CA12 (0.32) CA12CA2CA9
SCHEMBL6050152 0.76 ALDH1A1 (0.32)
SCHEMBL28267 0.76 CYP2C9 (0.33)
SCHEMBL27584380 0.75 FAAH (0.36) CA12CA9
SCHEMBL28127565 0.75 CES1 (0.37) CA12CA9
SCHEMBL7031539 0.71 CES2 (0.33)
SCHEMBL20324716 0.69
SCHEMBL7630004 0.69 CA12 (0.36) CA12CA9

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
WO-2004048506-A1 DYE TRANSFER INHIBITORS FOR LAUNDRY DETERGENTS THE LUBRIZOL CORPORATION (US) 2004-06-10 WO disclosed