SCHEMBL6455667

SCHEMBL6455667

Cc1c(C)c(S(=O)(=O)NCC(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
F2 P00734 1/20 0.38
FABP4 P15090 1/20 0.37
PSEN1 P49768 9/20 0.36
ALOX5 P09917 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
SCHEMBL18545144 0.80 PLG (0.41) PLGF10PLAUKLKB1PTGS1
SCHEMBL4530181 0.77 PTGS1 (0.42) PLGF10PLAUKLKB1PTGS1
SCHEMBL8529805 0.76 PLG (0.39) PLGF10PLAUKLKB1PTGS1
SCHEMBL4082092 0.76 PLG (0.41) PLGF10PLAUKLKB1PTGS1
SCHEMBL13923479 0.76 PLG (0.38) PLGF10PLAUKLKB1PTGS1
SCHEMBL8294965 0.76 CYP1A2 (0.43) PLGF10PLAUKLKB1PTGS1
SCHEMBL18620596 0.76 PLG (0.41) PLGF10PLAUKLKB1PTGS1
SCHEMBL4431792 0.76 PLG (0.41) PLGF10PLAUKLKB1PTGS1
SCHEMBL8531015 0.74 CYP1A2 (0.39) PLGF10PLAUKLKB1PTGS1
SCHEMBL838416 0.74 CYP1A2 (0.39) PLGF10PLAUKLKB1PTGS1

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
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed