SCHEMBL9906145

SCHEMBL9906145

O=CCCC(=O)NOC(=O)CCCCCCCCCCSCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.50
▸ CA1 P00915 15/20 0.50
▸ CA2 P00918 15/20 0.50
▸ CA12 O43570 7/20 0.50
▸ USP2 O75604 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CA14 Q9ULX7 3/20 0.48
▸ CA7 P43166 2/20 0.47
▸ FOLH1 Q04609 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 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
SCHEMBL13780474 0.90 DNASE1L3 (0.50) CA9CA1CA2CA12USP2
SCHEMBL13678642 0.84 CA9 (0.49) CA9CA1CA2CA12USP2
SCHEMBL14526777 0.82 CA9 (0.56) CA9CA1CA2CA12USP2
SCHEMBL15372440 0.82 CA9 (0.59) CA9CA1CA2CA12USP2
SCHEMBL12192027 0.80 CA9 (0.62) CA9CA1CA2CA12USP2
SCHEMBL14401673 0.79 CA9 (0.61) CA9CA1CA2CA12USP2
SCHEMBL15432797 0.78 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL29837449 0.78 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL1688096 0.78 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL13678658 0.78 CA9 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
Send feedback