SCHEMBL12155693

SCHEMBL12155693

COc1ccc(-c2c(OCc3cccc(C(F)(F)F)c3)c3ccccc3oc2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
ANO1 Q5XXA6 2/20 0.47
MAOA P21397 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.45
PPARG P37231 3/20 0.44
SLC26A3 P40879 1/20 0.43
ACHE P22303 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP19A1 P11511 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL12155348 0.79 MAOB (0.53) MAOBANO1MAOASLC26A3NR4A2
SCHEMBL12155353 0.78 MAOB (0.64) MAOBMAOASLC26A3ACHECYP19A1
SCHEMBL28085657 0.77 MAOB (0.52) MAOBABCG2CA1CA2POLB
SCHEMBL28143005 0.76 MAOB (0.72) MAOBABCG2CA1CA2
SCHEMBL12172454 0.74 MAOB (0.49) MAOBANO1MAOASLC26A3NR4A2
SCHEMBL28085658 0.72 MAOB (0.54) MAOBABCG2CA1CA2POLB
SCHEMBL5617559 0.71 MAOB (1.00) MAOBMAOAACHE
SCHEMBL7463411 0.69 MAOB (0.72) MAOBABCG2CA1CA2
SCHEMBL7117054 0.69 MAOB (0.72) MAOBMAOAABCG2CA1CA2
SCHEMBL31511409 0.69 MAOB (0.72) MAOBABCG2CA1CA2

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
US-8048889-B2 3,4-disubstituted coumarin and quinolone compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2011-11-01 US disclosed
US-8048889-B2 3,4-disubstituted coumarin and quinolone compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2011-11-01 US disclosed