SCHEMBL9906227

SCHEMBL9906227

CN(Cc1ccc(CNC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1)C(=O)CSCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 4/20 0.49
▸ ESR1 P03372 1/20 0.47
▸ CA9 Q16790 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALB P02768 1/20 0.43
▸ HAVCR2 Q8TDQ0 1/20 0.43
▸ FOLH1 Q04609 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13678665 0.91 ESR1 (0.52) SLC5A2ESR1CA9CA12CA1
SCHEMBL1688099 0.85 FOLH1 (0.51) SLC5A2ESR1CA9CA12CA1
SCHEMBL9906325 0.84 FOLH1 (0.54) SLC5A2ESR1CA9CA12CA1
SCHEMBL9906321 0.83 FOLH1 (0.55) SLC5A2ESR1CA9CA12CA1
SCHEMBL10145843 0.83 ESR1 (0.43) SLC5A2ESR1CA9CA12CA1
SCHEMBL9906326 0.82 FOLH1 (0.56) SLC5A2ESR1CA9CA12CA1
SCHEMBL9906327 0.81 FOLH1 (0.52) SLC5A2ESR1CA9CA12CA1
SCHEMBL13780502 0.81 FOLH1 (0.48) SLC5A2ESR1CA9ALBFOLH1
SCHEMBL14619724 0.81 USP2 (0.45) SLC5A2ESR1CA9CA12CA1
SCHEMBL9906226 0.81 ALB (0.49) ESR1CA9ALBFOLH1USP2

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-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
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