SCHEMBL13678642

SCHEMBL13678642

O=C(CSCCCCCCCCCCC(=O)ON1C(=O)CCC1=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.49
▸ CA1 P00915 16/20 0.49
▸ CA2 P00918 16/20 0.49
▸ CA12 O43570 8/20 0.49
▸ USP2 O75604 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA14 Q9ULX7 4/20 0.47
▸ CA7 P43166 2/20 0.46
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44

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
SCHEMBL29837449 0.94 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL1688096 0.94 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL9906193 0.90 CA9 (0.49) CA9CA1CA2CA12USP2
SCHEMBL9906260 0.90 DNASE1L3 (0.51) CA9CA1CA2CA12USP2
SCHEMBL9906146 0.86 CA9 (0.46) CA9CA1CA2CA12USP2
SCHEMBL18624613 0.84 CA1 (0.64) CA9CA1CA2CA12CA14
SCHEMBL9906145 0.84 CA9 (0.50) CA9CA1CA2CA12USP2
SCHEMBL14526777 0.83 CA9 (0.56) CA9CA1CA2CA12USP2
SCHEMBL15372440 0.83 CA9 (0.59) CA9CA1CA2CA12USP2
SCHEMBL9906321 0.83 FOLH1 (0.55) CA9CA1CA2CA12USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673399-B1 DETECTING AND PROFILING MOLECULAR COMPLEXES MONOGRAM BIOSCIENCES INC (US) 2017-04-05 — — EP disclosed
EP-1540347-B1 DETECTING RECEPTOR OLIGOMERIZATION ACLARA BIOSCIENCES INC (US) 2009-09-09 — — EP disclosed
US-20090011432-A1 Detecting and Profiling Molecular Complexes MONOGRAM BIOSCIENCES, INC. (US) 2009-01-08 — — US disclosed
US-7160735-B2 Tagged microparticle compositions and methods MONOGRAM BIOSCIENCES, INC. (US) 2007-01-09 — — US disclosed
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