SCHEMBL8910599

SCHEMBL8910599

O=C(O)[C@H](Cc1ccc(Oc2ccc(OS(=O)(=O)O)cc2)cc1)NI

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KDM4A O75164 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
CA2 P00918 1/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
LDHA P00338 1/20 0.38

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
Sulfuric Acid SCHEMBL8910593 0.86 MEN1 (0.48) MMEACECPA1ACE2CA2
Sulfuric Acid SCHEMBL8910597 0.86 MEN1 (0.48) MMEACECPA1ACE2CA2
SCHEMBL188398 0.83 FOLH1 (0.49) MMEACECPA1ACE2CA2
SCHEMBL188399 0.83 FOLH1 (0.49) MMEACECPA1ACE2CA2
SCHEMBL28520123 0.82 FOLH1 (0.48) MMEACECPA1ACE2CA2
SCHEMBL17111996 0.82 ITGB3 (0.49) KDM4EKDM4AITGB3ITGA2BCA2
SCHEMBL3091721 0.80 ITGB3 (0.58) KDM4EKDM4AMMEACECPA1
SCHEMBL1507973 0.80 KDM4E (0.46) KDM4EKDM4AITGB3ITGA2BCA2
SCHEMBL7215411 0.80 MME (0.44) MMEACECPA1ACE2ITGB3
Carbamic Acid SCHEMBL7215414 0.80 SLC7A5 (0.46) MMEACECPA1ACE2CA2

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-5670380-A QUANTITATIVE ANALYSIS OF PREGNANT WOMEN VETERANS AFFAIRS, DEPARTMENT OF 1997-09-23 US disclosed