SCHEMBL6281639

SCHEMBL6281639

CCCC(C)(Oc1cccc(OCCCCc2cn(Cc3ccccc3)nc2OCC)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 1/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
MCTS1 Q9ULC4 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
KMT2A Q03164 1/20 0.36
CREBBP Q92793 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL6034493 0.86 PPARA (0.50) ALDH1A1PPARAPPARGPPARDSLC16A3
SCHEMBL6034656 0.84 PPARA (0.48) ALDH1A1PPARAPPARGSLC16A3SLC16A1
SCHEMBL6275303 0.79 PPARA (0.39) PPARAPPARGPPARDLMNAMAPK1
SCHEMBL6364876 0.78 PLA2G4B (0.39) PPARAPPARGPPARDLMNAMAPK1
SCHEMBL6034607 0.74 HDAC1 (0.43) ALDH1A1LMNADGAT1HDAC1HDAC7
SCHEMBL6035017 0.73 POLB (0.44) ALDH1A1LMNADGAT1HDAC1HDAC7
SCHEMBL6035946 0.73 HDAC1 (0.39) ALDH1A1LMNAL3MBTL1DGAT1HDAC1
SCHEMBL6035864 0.71 SMN1; SMN2 (0.41) ALDH1A1LMNADGAT1HDAC1HDAC7
SCHEMBL6034895 0.71 PPARG (0.43) PPARAPPARGPPARDSLC16A3SLC16A1
SCHEMBL6035146 0.71 PPARG (0.44) PPARAPPARGPPARDSLC16A3SLC16A1

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-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed