SCHEMBL5065018

SCHEMBL5065018

COc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1C

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 12/20 0.77
MAPT P10636 4/20 0.70
RXFP1 Q9HBX9 2/20 0.69
CETP P11597 9/20 0.68
TP53 P04637 2/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL1736218 0.81 CEPT1 (1.00) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1734895 0.80 CEPT1 (0.84) CEPT1MAPTRXFP1CETPTP53
SCHEMBL4534132 0.80 CETP (0.86) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1733987 0.80 MAPT (1.00) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1734909 0.79 CEPT1 (0.82) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1736232 0.79 CEPT1 (1.00) CEPT1MAPTRXFP1CETPTP53
SCHEMBL13677062 0.79 CETP (1.00) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1736237 0.79 CETP (0.83) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1733956 0.79 CETP (1.00) CEPT1MAPTRXFP1CETPTP53
SCHEMBL1733627 0.79 CEPT1 (1.00) CEPT1MAPTRXFP1CETPTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed