SCHEMBL366750

SCHEMBL366750

CCOc1ccc(CCOc2cc(OC(=O)N(C)C)cc3c2c(C(=O)O)c2ccccn23)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.33
PPARA Q07869 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
CNR2 P34972 2/20 0.32
CYP2C9 P11712 2/20 0.31
RXRA P19793 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL366850 0.90 MAPT (0.37) MAPTKDM4EMEN1APAF1ALDH1A1
SCHEMBL365188 0.88 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1KMT2A
SCHEMBL365113 0.87 ALDH1A1 (0.41) PPARGPPARACYP11B1CYP11B2MAPT
SCHEMBL365168 0.87 ACHE (0.41)
SCHEMBL366899 0.84 PLA2G4A (0.36) CYP11B1CYP11B2MAPTKDM4EALDH1A1
SCHEMBL365768 0.83 ALOX5 (0.38) MAPTKDM4EMEN1APAF1ALDH1A1
SCHEMBL366373 0.83 MAPT (0.37) MAPTKDM4EMEN1APAF1ALDH1A1
SCHEMBL366611 0.81 ACHE (0.38) CYP11B1CYP11B2MAPTKDM4EMEN1
SCHEMBL366751 0.81 PPARG (0.33) PPARGPPARACYP11B1CYP11B2MAPT
SCHEMBL365592 0.80 MRGPRX4 (0.39) MAPTKDM4EMEN1APAF1ALDH1A1

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed