SCHEMBL27558353

SCHEMBL27558353

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2036937 0.79 ALOX15 (0.36) CYP1A2CYP2C19
SCHEMBL21197507 0.77 OPRM1 (0.37)
SCHEMBL16163571 0.72 CYP4F2 (0.33)
SCHEMBL7511555 0.72 CYP4F2 (0.33)
SCHEMBL6234395 0.72 ALOX15 (0.38) CYP1A2
SCHEMBL14977328 0.71 CYP4F2 (0.31) CYP1A2
SCHEMBL10622011 0.70 DNM1 (0.39) CYP1A2
SCHEMBL4947528 0.70 ALOX15 (0.31)
SCHEMBL20510149 0.70 LMNA (0.40) CYP1A2
SCHEMBL4658767 0.70 LMNA (0.40) CYP1A2

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-1345302-A Method for producing acrylic acid monomer CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-04-17 CN disclosed