SCHEMBL4721076

SCHEMBL4721076

CC(C)c1cc2c(c(C3CCCC3)c1Cc1ccc(C(F)(F)F)c(O)c1)[C@@H](O)CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.40
TLR3 O15455 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
SCHEMBL4510702 0.88 CETP (0.52) CETP
SCHEMBL27762200 0.75 CETP (0.42) CETP
SCHEMBL4715648 0.74 CETP (0.36) CETP
SCHEMBL4503500 0.71 CETP (0.56) CETP
SCHEMBL4497440 0.71 CETP (0.56) CETP
SCHEMBL4497445 0.71 CETP (0.56) CETP
SCHEMBL4510672 0.70 CETP (0.39) CETPTLR3
SCHEMBL4497013 0.69 CETP (0.41) CETP
SCHEMBL4508924 0.67 GCGR (0.33) CETPTLR3
SCHEMBL4721981 0.67 CTSD (0.37) 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