SCHEMBL4637576

SCHEMBL4637576

CCN(Cc1cccc(OC(C)=O)c1)C1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.55
PPARG P37231 7/20 0.55
PPARA Q07869 5/20 0.55
NPC1 O15118 5/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.45
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
TP53 P04637 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
SCHEMBL4637598 0.89 PPARD (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL4638656 0.88 PPARD (0.49) PPARDPPARGPPARANPC1RAB9A
SCHEMBL335794 0.86 PPARD (0.62) PPARDPPARGPPARANPC1RAB9A
SCHEMBL334833 0.85 PPARD (0.53) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10271969 0.84 PPARG (0.47) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221018 0.81 PPARD (0.58) PPARDPPARGPPARANPC1RAB9A
SCHEMBL335857 0.81 NPC1 (0.55) PPARDPPARGPPARANPC1RAB9A
SCHEMBL27878983 0.81 PPARG (0.64) PPARDPPARGPPARANPC1RAB9A
SCHEMBL27748076 0.81 NPC1 (0.47) PPARDPPARGPPARANPC1RAB9A
SCHEMBL10221031 0.78 PPARD (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed