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Sugi Predict / Compounds / SCHEMBL9946534

SCHEMBL9946534

SCHEMBL9946534

Cc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.62
▸ NR1I2 O75469 2/20 0.62

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
SCHEMBL4313907 0.90 CETP (0.76) CETPNR1I2
SCHEMBL9946548 0.87 CETP (0.54) CETPNR1I2
SCHEMBL9946545 0.84 CETP (0.49) CETPNR1I2
SCHEMBL15142847 0.82 CETP (0.77) CETPNR1I2
SCHEMBL14471002 0.81 CETP (0.49) CETPNR1I2
SCHEMBL16153832 0.80 CETP (0.82) CETPNR1I2
SCHEMBL9946537 0.80 CETP (0.65) CETPNR1I2
SCHEMBL18027494 0.79 CETP (0.83) CETPNR1I2
SCHEMBL9946535 0.78 CETP (0.60) CETPNR1I2
SCHEMBL4307436 0.78 CETP (0.45) CETPNR1I2

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