SCHEMBL8178414

SCHEMBL8178414

CC(C)Cc1cc(O)ccc1S(=O)(=O)NC[C@@H](O)C(N)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.54
▸ SPPL2A Q8TCT8 1/20 0.40
▸ LAP3 P28838 4/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ RNPEP Q9H4A4 1/20 0.38
▸ DNPEP Q9ULA0 1/20 0.38
▸ CSNK1E P49674 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ ADRB2 P07550 4/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL30718534 0.92 F2 (0.49) F2SPPL2ALAP3ANPEPRNPEP
SCHEMBL29913880 0.89 F2 (0.49) F2SPPL2ALAP3ANPEPRNPEP
SCHEMBL5074473 0.86 F2 (0.53) F2SPPL2AALDH1A1CA2
Hydrochloric Acid SCHEMBL1548337 0.85 F2 (0.53) F2SPPL2AALDH1A1CA2
SCHEMBL2578881 0.81 ADRB3 (0.39) ANPEPMCL1ADRB2
SCHEMBL30718508 0.80 F2 (0.48) F2SPPL2ALAP3ANPEPRNPEP
SCHEMBL30718544 0.79 F2 (0.47) F2SPPL2ALAP3ANPEPRNPEP
SCHEMBL4373557 0.79 F2 (0.51) F2SPPL2ALAP3ANPEPRNPEP
SCHEMBL6066041 0.79 F2 (0.51) F2SPPL2ALAP3ANPEPRNPEP
SCHEMBL29913751 0.78 F2 (0.52) F2SPPL2AALDH1A1CA12CA2

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-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 — — US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 — — US disclosed
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