SCHEMBL1734874

SCHEMBL1734874

Cc1cc(C#N)cc2nc(-c3ccc(/C=C(/C(=O)O)C(C)(C)C)cc3)oc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.49
CETP P11597 19/20 0.49

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
SCHEMBL1734875 1.00 CEPT1 (0.49) CEPT1CETP
SCHEMBL4534938 0.81 CEPT1 (0.52) CEPT1CETP
SCHEMBL4534934 0.81 CEPT1 (0.52) CEPT1CETP
SCHEMBL3807420 0.80 CETP (0.64) CEPT1CETP
SCHEMBL3679844 0.79 CETP (0.63) CEPT1CETP
SCHEMBL1734871 0.78 CETP (0.55) CEPT1CETP
SCHEMBL4531439 0.78 CEPT1 (0.68) CEPT1CETP
SCHEMBL1733937 0.78 CEPT1 (0.53) CEPT1CETP
Lithium Ion SCHEMBL3679842 0.76 CETP (0.56) CEPT1CETP
SCHEMBL3682047 0.75 CETP (0.59) CEPT1CETP

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-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed