SCHEMBL17857082

SCHEMBL17857082

CCOc1ccc(-c2cc3cc(OCCOS(=O)(=O)c4ccc(C)cc4)cc(Br)c3oc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
ADORA3 P0DMS8 4/20 0.46
MAOA P21397 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL17843631 0.81 MAOB (0.56) MAOBADORA3MAOA
SCHEMBL10346036 0.76 CA12 (0.57) CA12CA1CA9
SCHEMBL17843651 0.75 MAOB (0.56) MAOBADORA3
SCHEMBL17843629 0.74 MAOB (0.55) MAOBADORA3MAOARXFP1
SCHEMBL17843641 0.72 MAOB (0.67) MAOBCA1ADORA3MAOARXFP1
SCHEMBL8069545 0.71 CA12 (0.63) CA12CA1CA9
SCHEMBL5377371 0.69 CA12 (0.61) CA12CA1CA9
SCHEMBL17857193 0.69 MAOB (1.00) MAOBCA1ADORA3MAOARXFP1
SCHEMBL5638579 0.69 CA12 (0.57) CA12CA1CA9
SCHEMBL26338339 0.68 CA12 (0.52) CA12CA1CA9

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-2016097339-A1 LABELLED COUMARIN DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-23 WO disclosed