SCHEMBL3377660

SCHEMBL3377660

[CH2]c1cc(C(F)(F)F)ccc1-c1cc(C(C)C)c(F)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.54
NR1I2 O75469 1/20 0.49

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
SCHEMBL20780441 0.88 CETP (0.57) CETPNR1I2
SCHEMBL3377666 0.87 CETP (0.56) CETPNR1I2
SCHEMBL21034042 0.85 CETP (0.54) CETPNR1I2
SCHEMBL28102308 0.85 CETP (0.54) CETPNR1I2
SCHEMBL17546257 0.82 CETP (0.66) CETPNR1I2
SCHEMBL20794179 0.82 CETP (0.63) CETPNR1I2
SCHEMBL531553 0.82 CETP (0.63) CETPNR1I2
SCHEMBL17244388 0.82 CETP (0.55) CETPNR1I2
SCHEMBL9958110 0.81 CETP (0.52) CETPNR1I2
SCHEMBL22222466 0.81 CETP (0.54) 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
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 WO disclosed