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Sugi Predict / Compounds / SCHEMBL532574

SCHEMBL532574

SCHEMBL532574

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(CC(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.66
▸ NR1I2 O75469 1/20 0.47

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
SCHEMBL531293 0.91 CETP (0.67) CETP
SCHEMBL3305177 0.90 CETP (0.68) CETPNR1I2
SCHEMBL531328 0.86 CETP (0.62) CETPNR1I2
SCHEMBL531709 0.82 CETP (0.62) CETPNR1I2
SCHEMBL13413626 0.82 CETP (0.59) CETPNR1I2
SCHEMBL3304177 0.81 CETP (0.65) CETP
SCHEMBL17582681 0.80 CETP (0.69) CETPNR1I2
SCHEMBL4182800 0.80 CETP (1.00) CETP
SCHEMBL3552973 0.80 CETP (0.83) CETP
SCHEMBL531634 0.79 CETP (0.66) CETP

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-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 — — EP disclosed