SCHEMBL4637591

SCHEMBL4637591

CCC1(CCOc2c[c]ccc2)CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.59
PPARG P37231 13/20 0.59
PPARA Q07869 4/20 0.59
CYP2C9 P11712 3/20 0.50
CYP3A4 P08684 1/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4637175 0.80 PPARD (0.66) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL333946 0.79 PPARD (0.60) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL334550 0.78 PPARD (0.61) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL334547 0.74 PPARD (1.00) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL334711 0.73 PPARD (0.85) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL334847 0.73 PPARD (0.60) PPARDPPARGPPARACYP2C9NPC1
SCHEMBL14143657 0.72 PPARD (0.62) PPARDPPARGPPARACYP2C9CYP3A4
SCHEMBL4637185 0.71 NPC1 (0.58) PPARDCYP2C9CYP3A4NPC1RAB9A
SCHEMBL10221478 0.71 PPARD (0.79) PPARDPPARGPPARACYP2C9
SCHEMBL10221477 0.70 PPARD (1.00) PPARDPPARGPPARACYP2C9CYP3A4

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