SCHEMBL9665229

SCHEMBL9665229

NCc1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.64
POLB P06746 1/20 0.58
MMP2 P08253 5/20 0.57
MMP9 P14780 4/20 0.57
ADAMTS4 O75173 1/20 0.57
PLG P00747 5/20 0.55
F10 P00742 5/20 0.54
PLAU P00749 3/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
ST14 Q9Y5Y6 3/20 0.54
HPN P05981 1/20 0.54
HGFAC Q04756 1/20 0.54

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
SCHEMBL5189194 0.89 MMP2 (0.71) F2POLBMMP2MMP9ADAMTS4
SCHEMBL3310154 0.89 MMP2 (0.71) F2POLBMMP2MMP9ADAMTS4
SCHEMBL7290941 0.89 MMP2 (0.71) F2POLBMMP2MMP9ADAMTS4
SCHEMBL31086814 0.89 MMP2 (0.71) F2POLBMMP2MMP9ADAMTS4
SCHEMBL9664214 0.89 POLB (0.58) F2POLBMMP2MMP9ADAMTS4
SCHEMBL8954699 0.85 PLG (0.74) F2PLGF10PLAUST14
SCHEMBL9665995 0.85 PLG (0.74) F2PLGF10PLAUST14
SCHEMBL8954649 0.84 F2 (0.60) F2PLGF10PLAUHPN
SCHEMBL7299041 0.84 F2 (0.61) F2POLBMMP2MMP9ADAMTS4
SCHEMBL8202708 0.84 POLB (0.54) F2POLBMMP2MMP9ADAMTS4

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-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 WO disclosed