SCHEMBL4637823

SCHEMBL4637823

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.45
PPARG P37231 12/20 0.45
PPARA Q07869 9/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4638653 0.92 PPARD (0.51) PPARDPPARGPPARANPC1
SCHEMBL334657 0.80 PPARG (0.56) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334666 0.79 PPARG (0.53) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334834 0.77 PPARG (0.62) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334835 0.76 PPARG (0.53) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334141 0.74 PPARG (0.48) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10219561 0.73 PPARD (0.48) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10219562 0.73 PPARD (0.48) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334833 0.73 PPARD (0.53) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334683 0.71 PPARG (0.53) PPARDPPARGPPARANPC1RAB9A

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