SCHEMBL1584447

SCHEMBL1584447

CCN(C(=O)OC(C)(C)C)N(C)CCNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.46
PPARG P37231 3/20 0.46
FABP2 P12104 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
PTGS2 P35354 1/20 0.43
CNR1 P21554 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ABCB11 O95342 2/20 0.43
TSHR P16473 2/20 0.43
HTR2A P28223 2/20 0.43
PMP22 Q01453 2/20 0.43

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
SCHEMBL22209081 0.82 PPARA (0.55) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL1584444 0.82 PPARA (0.50) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL22221439 0.79 PPARA (0.54) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL1584689 0.79 PPARA (0.56) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL1583796 0.78 PPARA (0.52) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL22221443 0.77 PPARA (0.54) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL22221670 0.77 PPARA (0.62) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL1584416 0.76 PPARA (0.52) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL1584395 0.76 PPARA (0.60) PPARAPPARGFABP2SLC22A12LMNA
SCHEMBL1583983 0.75 PPARA (0.51) PPARAPPARGFABP2SLC22A12LMNA

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-2011044141-A1 FATTY ACID FIBRATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed