SCHEMBL9906221

SCHEMBL9906221

O=C(CCSC(C(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)c1ccccc1)OC1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.48
▸ CA1 P00915 14/20 0.48
▸ CA2 P00918 14/20 0.48
▸ CA12 O43570 6/20 0.48
▸ CA14 Q9ULX7 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CA7 P43166 2/20 0.46
▸ ELF3 P78545 2/20 0.45
▸ MED23 Q9ULK4 2/20 0.45
▸ OPRD1 P41143 2/20 0.43

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
SCHEMBL14426893 0.92 ELF3 (0.41) CA9CA1CA2CA12CA14
SCHEMBL14402541 0.88 CA9 (0.55) CA9CA1CA2CA12CA14
SCHEMBL15432797 0.85 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL9906146 0.83 CA9 (0.46) CA9CA1CA2CA12CA14
SCHEMBL14402542 0.81 CA9 (0.47) CA9CA1CA2CA12CA14
SCHEMBL9906147 0.78 FOLH1 (0.46) CA9USP2L3MBTL1
SCHEMBL14402544 0.78 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL9906265 0.76 FOLH1 (0.51) CA9CA1CA2CA12USP2
SCHEMBL9906220 0.75 ALB (0.43) CA9CA1CA2CA12CA14
SCHEMBL23762521 0.75 CA9 (0.66) CA9CA1CA2CA12CA14

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 8 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
US-8198031-B2 Using epidermal growth factor receptor complexes to diagnose and prognose health in cancer patients; drug screening MONOGRAM BIOSCIENCES, INC. (US) 2012-06-12 — — US disclosed
EP-1540347-B1 DETECTING RECEPTOR OLIGOMERIZATION ACLARA BIOSCIENCES INC (US) 2009-09-09 — — EP disclosed
US-20090173631-A1 Single Cell Analysis of Membrane Molecules ACLARA BIOSCIENCES, INC. 2009-07-09 — — US disclosed
US-20090011432-A1 Detecting and Profiling Molecular Complexes MONOGRAM BIOSCIENCES, INC. (US) 2009-01-08 — — US disclosed
US-20080233602-A1 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. 2008-09-25 — — US disclosed
US-7402397-B2 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. (US) 2008-07-22 — — US disclosed
US-7160735-B2 Tagged microparticle compositions and methods MONOGRAM BIOSCIENCES, INC. (US) 2007-01-09 — — US disclosed
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