SCHEMBL8529439

SCHEMBL8529439

Cc1c(C)c(S(=O)(=O)NC(CCCNC(=N)N)C(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.49
PLAU P00749 2/20 0.49
F10 P00742 1/20 0.49
KLKB1 P03952 1/20 0.49
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
F2 P00734 2/20 0.38
ST14 Q9Y5Y6 1/20 0.38
NR1I2 O75469 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
PSEN1 P49768 5/20 0.31

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
SCHEMBL1740223 1.00 PLG (0.49) PLGPLAUF10KLKB1ITGB3
SCHEMBL7020069 0.94 PLG (0.49) PLGPLAUF10KLKB1ITGB3
SCHEMBL26907175 0.91 PLG (0.45) PLGPLAUF10KLKB1ITGB3
SCHEMBL5141894 0.91 PLG (0.45) PLGPLAUF10KLKB1ITGB3
SCHEMBL1323026 0.91 PLG (0.45) PLGPLAUF10KLKB1ITGB3
SCHEMBL30822847 0.91 PLG (0.45) PLGPLAUF10KLKB1ITGB3
SCHEMBL29406228 0.91 PLG (0.45) PLGPLAUF10KLKB1ITGB3
Hydrochloric Acid SCHEMBL1711200 0.90 PLG (0.44) PLGPLAUF10KLKB1ITGB3
SCHEMBL8526287 0.85 PLG (0.48) PLGPLAUF10KLKB1ITGB3
SCHEMBL8526793 0.85 PLG (0.47) PLGPLAUF10KLKB1ITGB3

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
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed