SCHEMBL8612345

SCHEMBL8612345

CCCCCCC1NC(C)(C)COC1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.44
DAGLA Q9Y4D2 1/20 0.38
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HLCS P50747 1/20 0.33
POLB P06746 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
SCHEMBL8612563 0.98 PRKCA (0.42) PRKCADAGLACYP1A2ALDH1A1L3MBTL1
SCHEMBL10473935 0.80
SCHEMBL7201103 0.68 ALDH1A1 (0.44) CYP1A2ALDH1A1L3MBTL1
SCHEMBL9419467 0.68 PRKCA (0.46) PRKCADAGLACYP1A2CYP3A4CYP2C9
SCHEMBL15007138 0.66 CHRNB2 (0.33)
SCHEMBL10005090 0.66 ALDH1A1 (0.45) CYP1A2ALDH1A1L3MBTL1HLCS
SCHEMBL5442521 0.66 ALDH1A1 (0.45) CYP1A2ALDH1A1L3MBTL1HLCS
SCHEMBL9241076 0.65 CYP1A2 (0.50) PRKCACYP1A2ALDH1A1
SCHEMBL29672413 0.65 CYP1A2 (0.50) PRKCACYP1A2ALDH1A1
SCHEMBL3652550 0.65 CYP1A2 (0.42) PRKCACYP1A2ALDH1A1L3MBTL1HLCS

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