SCHEMBL14426896

SCHEMBL14426896

O=C(O)CCSCC(=O)NCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.56
▸ CA1 P00915 15/20 0.56
▸ CA2 P00918 15/20 0.56
▸ CA12 O43570 7/20 0.55
▸ CA14 Q9ULX7 3/20 0.55
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA7 P43166 2/20 0.54
▸ DNASE1L3 Q13609 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48

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
SCHEMBL15372440 0.94 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL9906193 0.88 CA9 (0.49) CA9CA1CA2CA12CA14
SCHEMBL14644941 0.87 CA9 (0.62) CA9CA1CA2CA12CA14
SCHEMBL20059101 0.87 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL14526777 0.87 CA9 (0.56) CA9CA1CA2CA12CA14
SCHEMBL12464675 0.85 CA9 (0.62) CA9CA1CA2CA12CA14
SCHEMBL15150500 0.85 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL14401673 0.84 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL12464674 0.84 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL12192027 0.84 CA9 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7255999-B2 Detection of preferential polypetide in sample; otain sample containing preferential polyeptide, electrophorese, incubate with probe, detect signal from probe and recover polypeptide MONOGRAM BIOSCIENCES, INC. (US) 2007-08-14 — — US disclosed
US-7160735-B2 Tagged microparticle compositions and methods MONOGRAM BIOSCIENCES, INC. (US) 2007-01-09 — — US disclosed
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