SCHEMBL13907005

SCHEMBL13907005

C#CCOc1cc(OCC#C)cc(C(=O)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.57
▸ CA1 P00915 14/20 0.57
▸ CA2 P00918 14/20 0.57
▸ CA12 O43570 6/20 0.57
▸ USP2 O75604 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA14 Q9ULX7 2/20 0.53
▸ CA7 P43166 2/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALPI P09923 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ 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
SCHEMBL14806740 0.85 CA9 (0.60) CA9CA1CA2CA12USP2
SCHEMBL16181495 0.79 CA9 (0.67) CA9CA1CA2CA12USP2
SCHEMBL13971293 0.79 USP2 (0.72) CA9CA1CA2CA12USP2
SCHEMBL15828111 0.79 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL2742845 0.78 CA9 (0.58) CA9CA1CA2CA12USP2
SCHEMBL14426895 0.78 USP2 (0.68) CA9CA1CA2CA12USP2
5-Iodoacetamidofluorescein SCHEMBL10146553 0.78 CA9 (0.66) CA9CA1CA2CA12USP2
SCHEMBL14527509 0.78 CA9 (0.66) CA9CA1CA2CA12USP2
SCHEMBL12793932 0.78 CA9 (0.66) CA9CA1CA2CA12USP2
SCHEMBL92536 0.78 USP2 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009035494-A2 METHODS FOR PRODUCING ANTI-GLYCAN ANTIBODIES, VACCINES AND METHODS FOR TREATING CANCER OR INFECTIOUS DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-19 — — WO disclosed
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