SCHEMBL13678658

SCHEMBL13678658

CCC(=O)N(C=O)OC(=O)CCSCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.49
▸ CA1 P00915 15/20 0.49
▸ CA2 P00918 15/20 0.49
▸ CA12 O43570 7/20 0.49
▸ CA14 Q9ULX7 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA7 P43166 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ FKBP1A P62942 1/20 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
SCHEMBL14526777 0.87 CA9 (0.56) CA9CA1CA2CA12CA14
SCHEMBL15372440 0.84 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL14401673 0.83 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL1688096 0.81 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL15432797 0.81 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL29837449 0.81 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL14620245 0.81 FOLH1 (0.53) CA9CA1CA2CA12USP2
SCHEMBL15150500 0.81 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL13678633 0.81 FOLH1 (0.50) CA9CA1CA2CA12USP2
SCHEMBL14527509 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7402397-B2 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. (US) 2008-07-22 — — US disclosed
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