SCHEMBL17067944

SCHEMBL17067944

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.61
▸ CA1 P00915 14/20 0.61
▸ CA2 P00918 14/20 0.61
▸ USP2 O75604 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CA12 O43570 6/20 0.59
▸ CA14 Q9ULX7 2/20 0.58
▸ CA7 P43166 2/20 0.56
▸ ESR1 P03372 1/20 0.54
▸ DNASE1L3 Q13609 1/20 0.53
▸ PRMT1 Q99873 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALPI P09923 1/20 0.52
▸ ALPG P10696 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL14527509 0.88 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL16421785 0.88 CA9 (0.61) CA9CA1CA2USP2L3MBTL1
SCHEMBL18559017 0.88 CA9 (0.60) CA9CA1CA2USP2L3MBTL1
SCHEMBL2742845 0.86 CA9 (0.58) CA9CA1CA2USP2L3MBTL1
SCHEMBL12793932 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
5-Iodoacetamidofluorescein SCHEMBL10146553 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL14426895 0.86 USP2 (0.68) CA9CA1CA2USP2L3MBTL1
SCHEMBL15150500 0.86 CA9 (0.59) CA9CA1CA2USP2L3MBTL1
SCHEMBL15145504 0.86 CA9 (0.63) CA9CA1CA2USP2L3MBTL1
SCHEMBL18595016 0.85 CA9 (0.59) CA9CA1CA2USP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2378288-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2015-09-09 — — EP disclosed
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