Sugi Predict

Sugi Predict / Compounds / SCHEMBL9946528

SCHEMBL9946528

SCHEMBL9946528

C[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1nc(I)ccc1-c1cc(C(C)(C)CO)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL9946539 0.82 CETP (0.47) CETPKCNH2
SCHEMBL4310889 0.82 CETP (0.47) CETPKCNH2
SCHEMBL9946508 0.80 CETP (0.44) CETPKCNH2
SCHEMBL4317579 0.77 CETP (0.59) CETPKCNH2
SCHEMBL9946542 0.73 CETP (0.55) CETP
SCHEMBL4310140 0.73 CETP (0.48) CETPKCNH2
SCHEMBL4307436 0.72 CETP (0.45) CETPKCNH2
SCHEMBL9946545 0.70 CETP (0.49) CETPKCNH2
SCHEMBL14471022 0.69 CETP (0.41) CETPKCNH2
SCHEMBL4314390 0.69 CETP (0.41) 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