SCHEMBL30200282

SCHEMBL30200282

O=C(O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
PPARG P37231 5/20 0.51
ACE P12821 4/20 0.49
FOLH1 Q04609 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SLC7A5 Q01650 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL28447871 1.00 MME (0.52) MMEPPARGACEFOLH1NAALAD2
SCHEMBL8299830 0.85 PPARG (0.51) MMEPPARGACEFOLH1NAALAD2
SCHEMBL5566405 0.85 MME (0.50) MMEPPARGACEFOLH1NAALAD2
SCHEMBL346889 0.83 MME (0.51) MMEPPARGACEFOLH1NAALAD2
SCHEMBL18351661 0.83 PPARG (0.56) MMEPPARGACEFOLH1NAALAD2
SCHEMBL3923887 0.83 PPARG (0.56) MMEPPARGACEFOLH1NAALAD2
SCHEMBL3923892 0.83 PPARG (0.56) MMEPPARGACEFOLH1NAALAD2
SCHEMBL290549 0.82 PPARG (0.76) PPARG
SCHEMBL2217249 0.82 PPARG (0.76) PPARG
SCHEMBL6834106 0.82 PPARG (0.51) MMEPPARGNAALAD2MEN1KMT2A

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
CN-115606806-A Dietary composition useful for preventing and controlling obesity 崔明奭 2023-01-17 CN disclosed