SCHEMBL8612563

SCHEMBL8612563

CCCCCC1NC(C)(C)COC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.42
CYP1A2 P05177 3/20 0.38
DAGLA Q9Y4D2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HLCS P50747 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8612345 0.98 PRKCA (0.44) PRKCACYP1A2DAGLAALDH1A1L3MBTL1
SCHEMBL9419467 0.69 PRKCA (0.46) PRKCACYP1A2DAGLACYP3A4CYP2C9
SCHEMBL2598217 0.67 CHRNB2 (0.33)
SCHEMBL15007138 0.67 CHRNB2 (0.33)
SCHEMBL7201103 0.66 ALDH1A1 (0.44) CYP1A2ALDH1A1L3MBTL1
SCHEMBL8329999 0.65 GHSR (0.38) CYP1A2
SCHEMBL22854369 0.65 GHSR (0.38) CYP1A2
SCHEMBL22854300 0.65 GHSR (0.38) CYP1A2
SCHEMBL5452034 0.64
SCHEMBL5283640 0.63 CYP1A2 (0.36) PRKCACYP1A2DAGLAALDH1A1L3MBTL1

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-1998044008-A1 CONTROLLED FREE RADICAL POLYMERIZATION PROCESS THE B.F. GOODRICH COMPANY (US) 1998-10-08 WO claimed