SCHEMBL4638653

SCHEMBL4638653

CCCCC1C(NCc2cccc(CC(=O)O)c2)CCN1c1nc2ccc(Cl)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.51
PPARG P37231 17/20 0.51
PPARA Q07869 12/20 0.51
NPC1 O15118 1/20 0.44

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
SCHEMBL4637823 0.92 PPARD (0.45) PPARDPPARGPPARANPC1
SCHEMBL10220521 0.78 PPARD (0.56) PPARDPPARGPPARANPC1
SCHEMBL10220520 0.78 PPARD (0.56) PPARDPPARGPPARANPC1
SCHEMBL10221023 0.77 PPARD (0.61) PPARDPPARGPPARA
SCHEMBL10220489 0.75 PPARD (0.58) PPARDPPARGPPARA
SCHEMBL10220486 0.75 PPARD (0.58) PPARDPPARGPPARA
SCHEMBL335796 0.75 PPARD (0.61) PPARDPPARGPPARANPC1
SCHEMBL335795 0.75 PPARD (0.72) PPARDPPARGPPARANPC1
SCHEMBL10221031 0.73 PPARD (0.58) PPARDPPARGPPARANPC1
SCHEMBL10220458 0.73 PPARD (0.66) PPARDPPARGPPARA

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-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed