SCHEMBL4638656

SCHEMBL4638656

CCCCN(Cc1cccc(OC(C)=O)c1)C1CCN(c2nc3ccc(Cl)cc3s2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.49
PPARG P37231 9/20 0.49
PPARA Q07869 6/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.44
TP53 P04637 4/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4637576 0.88 PPARD (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334260 0.87 PPARD (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334141 0.87 PPARG (0.48) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10271876 0.86 NPC1 (0.45) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221055 0.83 PPARD (0.67) PPARDPPARGPPARACYP2C9
SCHEMBL4637598 0.83 PPARD (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221031 0.82 PPARD (0.58) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221018 0.79 PPARD (0.58) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334515 0.78 PPARD (0.69) PPARDPPARGPPARACYP2C9
SCHEMBL334392 0.77 PPARD (0.59) PPARDPPARGPPARATP53MAPT

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