SCHEMBL6424437

SCHEMBL6424437

COC(=O)Oc1c(C2CCCC2)cc2c(c1-c1ccc(F)cc1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.36
SSTR5 P35346 4/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
PTPRB P23467 1/20 0.31
NPC1 O15118 1/20 0.31
CNR2 P34972 1/20 0.31
SLC34A1 Q06495 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL7121163 0.85 CETP (0.36) CETPSSTR5PTGDR2PTGDRPTPRB
SCHEMBL6421617 0.84 CETP (0.42) CETPSSTR5PTGDR2PTGDRCNR2
SCHEMBL6422219 0.83 CETP (0.37) CETPSSTR5PTGDR2PTGDRPTPRB
SCHEMBL6422216 0.83 CETP (0.37) CETPSSTR5PTGDR2PTGDRPTPRB
SCHEMBL6424280 0.83 CETP (0.35) CETPPTGDR2PTGDR
SCHEMBL7124749 0.77 GCGR (0.39) CETP
SCHEMBL6422071 0.77 ALPL (0.35) CETPSSTR5PTGDR2PTGDRCNR2
SCHEMBL7129152 0.76 GCGR (0.38)
SCHEMBL6381544 0.75 GCGR (0.35) SSTR5
SCHEMBL7129129 0.75 GCGR (0.35)

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-1017659-B1 SUBSTITUTED TETRAHYDRONAPHTHALINE AND ANALOGOUS COMPOUNDS BAYER HEALTHCARE AG (DE) 2005-04-27 EP disclosed