SCHEMBL8955960

SCHEMBL8955960

O=C(O)C(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
PLG P00747 8/20 0.49
F10 P00742 5/20 0.48
PLAU P00749 2/20 0.48
HPN P05981 3/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
CA9 Q16790 1/20 0.47
HGFAC Q04756 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
F12 P00748 1/20 0.46
KLKB1 P03952 1/20 0.46
PROC P04070 1/20 0.46

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
SCHEMBL7300170 0.92 POLB (0.55) F2PLGF10PLAUHPN
SCHEMBL7300164 0.92 POLB (0.55) F2PLGF10PLAUHPN
Hydrochloric Acid SCHEMBL8578699 0.88 PLG (0.52) F2PLGF10PLAUHPN
SCHEMBL7292784 0.81 F2 (0.57) F2CA2MMP2
SCHEMBL8954714 0.80 CA2 (0.46) F2PLGF10PLAUCA12
SCHEMBL5189194 0.78 MMP2 (0.71) F2MMP2
SCHEMBL7290941 0.78 MMP2 (0.71) F2MMP2
SCHEMBL31086814 0.78 MMP2 (0.71) F2MMP2
SCHEMBL3310154 0.78 MMP2 (0.71) F2MMP2
SCHEMBL3839373 0.76 BACE1 (0.53) MMP2

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 US disclosed