Sugi Predict

Sugi Predict / Compounds / SCHEMBL9946518

SCHEMBL9946518

SCHEMBL9946518

COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)C[C@@H]1C

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.73
▸ KCNH2 Q12809 7/20 0.73

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
SCHEMBL4310656 0.97 CETP (0.78) CETPKCNH2
SCHEMBL13950193 0.91 CETP (0.69) CETPKCNH2
SCHEMBL4305526 0.90 CETP (0.69) CETPKCNH2
SCHEMBL9946555 0.85 CETP (0.56) CETPKCNH2
SCHEMBL1529103 0.85 CETP (1.00) CETPKCNH2
SCHEMBL14875084 0.85 CETP (1.00) CETPKCNH2
SCHEMBL12434929 0.84 CETP (0.85) CETPKCNH2
SCHEMBL13950184 0.83 CETP (0.71) CETPKCNH2
SCHEMBL12434946 0.82 CETP (0.82) CETPKCNH2
SCHEMBL12512900 0.81 CETP (0.86) CETPKCNH2

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
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 — — EP disclosed