SCHEMBL8954943

SCHEMBL8954943

N=C(N)c1cccc(C[C@](N)(C(=O)NCCCCCC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.49
▸ F2 P00734 1/20 0.49
▸ HPN P05981 2/20 0.48
▸ ST14 Q9Y5Y6 2/20 0.48
▸ PLG P00747 5/20 0.46
▸ ITGB3 P05106 8/20 0.46
▸ ITGA2B P08514 8/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ PROC P04070 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HGFAC Q04756 1/20 0.42
▸ PLAU P00749 1/20 0.42

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
SCHEMBL8954844 0.97 F10 (0.50) F10F2HPNST14PLG
Bicarbonate SCHEMBL9666014 0.81 F10 (0.49) F10F2HPNST14PLG
SCHEMBL8954839 0.80 F10 (0.47) F10F2HPNST14PLG
SCHEMBL8954806 0.79 F10 (0.52) F10F2HPNST14PLG
SCHEMBL8954951 0.77 PLG (0.51) F10F2HPNST14PLG
SCHEMBL8954760 0.77 F10 (0.48) F10F2HPNST14PLG
SCHEMBL8954673 0.76 F10 (0.43) F10F2HPNST14PLG
Bicarbonate SCHEMBL9665131 0.74 F10 (0.57) F10F2PLGPLAU
SCHEMBL8954617 0.73 PLG (0.51) F10HPNPLGPROCPLAU
SCHEMBL8954860 0.73 F10 (0.41) F10F2HPNPLGPROC

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
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