SCHEMBL4718265

SCHEMBL4718265

CC(C)c1cc2c(c(C3=CCCCC3)c1[C@@H](O)c1ccc(C(F)(F)F)cc1)C(O)CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.40
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL4516929 1.00 CETP (0.40) CETPRPS6KB1
SCHEMBL4500953 1.00 CETP (0.40) CETPRPS6KB1
SCHEMBL4718268 1.00 CETP (0.40) CETPRPS6KB1
SCHEMBL4500955 1.00 CETP (0.40) CETPRPS6KB1
SCHEMBL4510069 0.97 CETP (0.41) CETPRPS6KB1
SCHEMBL4508923 0.97 CETP (0.41) CETPRPS6KB1
SCHEMBL4508920 0.97 CETP (0.41) CETPRPS6KB1
SCHEMBL11938624 0.83 CETP (0.40) CETP
SCHEMBL4500666 0.83 CETP (0.40) CETP
SCHEMBL4508331 0.83 CETP (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999123-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-12-10 EP disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 WO disclosed