SCHEMBL6592159

SCHEMBL6592159

CCOC(=O)N1c2cc(OC)c(OC)cc2C(N(Cc2ccc(C)cc2)C(=O)OC)CC1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35

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
SCHEMBL6592155 1.00 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6592150 1.00 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6594744 0.94 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6594748 0.94 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6594741 0.94 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6588649 0.93 CETP (0.48) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6588656 0.93 CETP (0.48) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6588653 0.93 CETP (0.48) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6588905 0.93 CETP (0.49) CETPPTGDR2NPSR1CA12CA1
SCHEMBL6588898 0.93 CETP (0.49) CETPPTGDR2NPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987251-B1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors PFIZER PROD INC (US) 2004-05-19 EP disclosed
US-6362198-B1 ANTICHOLESTEROL, ANTILIPEMIC AGENT PFIZER INC. 2002-03-26 US disclosed
US-6140342-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR; USED TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN OTHER PLASMA LIPID LEVELS, SUCH AS LDL-CHOLESTEROL AND TRIGLYCERIDES PFIZER INC. (US) 2000-10-31 US disclosed
EP-0987251-A1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-03-22 EP disclosed