SCHEMBL18211308

SCHEMBL18211308

NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 5/20 0.49
▸ CA2 P00918 9/20 0.48
▸ CA1 P00915 3/20 0.48
▸ MME P08473 3/20 0.45
▸ GNPAT O15228 1/20 0.44
▸ ACE P12821 2/20 0.44
▸ CPA1 P15085 2/20 0.44
▸ ACE2 Q9BYF1 2/20 0.44

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
SCHEMBL17903210 1.00 ENPEP (0.49) ENPEPCA2CA1MMEGNPAT
SCHEMBL17903209 0.97 CA2 (0.50) ENPEPCA2CA1MMEACE
SCHEMBL17903276 0.85 CA2 (0.39) ENPEPCA2CA1
SCHEMBL678158 0.83 SLC7A5 (0.61) ENPEPMMEACECPA1ACE2
SCHEMBL10789173 0.83 SLC7A5 (0.61) ENPEPMMEACECPA1ACE2
SCHEMBL9419220 0.83 SLC7A5 (0.61) ENPEPMMEACECPA1ACE2
SCHEMBL29657676 0.83 SLC7A5 (0.61) ENPEPMMEACECPA1ACE2
SCHEMBL678159 0.83 SLC7A5 (0.61) ENPEPMMEACECPA1ACE2
SCHEMBL30839475 0.83 SLC7A5 (0.61) ENPEPMMEACECPA1ACE2
SCHEMBL8082492 0.83 MME (0.63) MMEGNPATACECPA1ACE2

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
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
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