SCHEMBL4809536

SCHEMBL4809536

CC(=O)OOc1ccc(C(=O)CCc2sc(-c3ccc4ccccc4c3)nc2C(C)C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC1 Q13547 1/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 4/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL4755245 0.91 SMN1; SMN2 (0.38) PPARDPPARGPPARASMN1; SMN2KDM4E
SCHEMBL12732429 0.88 PPARD (0.42) PPARDPPARGPPARASMN1; SMN2KDM4E
SCHEMBL4754145 0.87 PPARD (0.37) PPARDPPARGPPARAMAPTTP53
SCHEMBL24656237 0.87 PPARD (0.39) PPARDPPARGPPARASMN1; SMN2KDM4E
SCHEMBL30003495 0.87 PPARD (0.39) PPARDPPARGPPARASMN1; SMN2KDM4E
SCHEMBL12732431 0.86 PPARD (0.44) PPARDPPARGPPARASMN1; SMN2KDM4E
SCHEMBL2466101 0.86 PPARD (0.51) PPARDPPARGPPARAMAPT
SCHEMBL2465693 0.86 PPARD (0.50) PPARDPPARGPPARAHPGDALDH1A1
SCHEMBL8223128 0.85 ALDH1A1 (0.40) PPARDPPARGPPARASMN1; SMN2KDM4E
SCHEMBL1765907 0.85 PPARD (0.51) 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
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed