SCHEMBL2825490

SCHEMBL2825490

Cc1cc(Sc2cc(C#Cc3ccccc3CO)nc(C#Cc3ccccc3CO)c2)ccc1[O]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
GRM5 P41594 2/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL2825493 0.88 HSP90AA1 (0.34) FFAR1GRM5PPARGPPARDPPARA
SCHEMBL2070933 0.82 PPARD (0.50) PPARGPPARDPPARAPTGDR2
SCHEMBL2068916 0.81 PPARD (0.42) PPARGPPARDPPARAPTGDR2
SCHEMBL2827431 0.79 PPARG (0.40) FFAR1GRM5PPARGPPARDPPARA
SCHEMBL12646847 0.76 PPARD (0.45) PPARGPPARDPPARAPTGDR2
SCHEMBL2820978 0.68 GRM5 (0.44) GRM5
SCHEMBL2827433 0.67 PPARG (0.38) FFAR1GRM5PPARGPPARDPPARA
SCHEMBL27741997 0.63 ALDH1A1 (0.46) HSP90AA1HSP90AB1
SCHEMBL20945362 0.63 KDM4E (0.43) FFAR1
SCHEMBL29791106 0.63 KDM4E (0.43) FFAR1

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-1745003-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-27 EP claimed