SCHEMBL7569063

SCHEMBL7569063

CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@](O)(Cc2ccc(Cl)cc2)[C@@](O)(Cc2ccc(Br)cc2)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
CCR5 P51681 1/20 0.31

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
SCHEMBL7565489 0.95 PPARG (0.33) PPARGPPARA
SCHEMBL7594684 0.80 PPARG (0.32) PPARGPPARA
SCHEMBL7645453 0.78 TRPA1 (0.32)
SCHEMBL6637475 0.73 GRIN2D (0.32)
SCHEMBL6895512 0.73 NPC1 (0.33)
SCHEMBL6895515 0.73 NPC1 (0.33)
SCHEMBL31016265 0.72 GRIN2D (0.33)
SCHEMBL3155159 0.72 GRIN2D (0.33)
SCHEMBL3163944 0.72 GRIN2D (0.33)
SCHEMBL3145397 0.72 GRIN2D (0.33)

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-1233970-A2 PROTECTING GROUPS USEFUL IN THE SYNTHESIS OF POLYSACCHARIDES, NATURAL PRODUCTS, AND COMBINATORIAL LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-08-28 EP disclosed
WO-2001038337-A2 PROTECTING GROUPS USEFUL IN THE SYNTHESIS OF POLYSACCHARIDES, NATURAL PRODUCTS, AND COMBINATORIAL LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-31 WO disclosed