SCHEMBL6547818

SCHEMBL6547818

NOCCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.34
HTT P42858 1/20 0.34
KLK1 P06870 1/20 0.32
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL6548732 1.00 PLAU (0.34) PLAUHTTKLK1S1PR2S1PR1
Hydrochloric Acid SCHEMBL6547483 0.99 PLAU (0.33) PLAUHTTKLK1S1PR2S1PR1
Hydrochloric Acid SCHEMBL6550066 0.99 PLAU (0.33) PLAUHTTKLK1S1PR2S1PR1
SCHEMBL6548456 0.99 PLAU (0.35) PLAUHTTKDM4E
Hydrochloric Acid SCHEMBL6548709 0.97 PLAU (0.34) PLAUHTTKDM4E
SCHEMBL6550154 0.96 PLAU (0.35) PLAUHTT
Hydrochloric Acid SCHEMBL6548041 0.94 PLAU (0.34) PLAUHTT
SCHEMBL8408754 0.91 HTT (0.39) PLAUHTTKLK1S1PR2S1PR1
Hydrochloric Acid SCHEMBL6547824 0.90 PLAU (0.35) PLAUHTT
Hydrochloric Acid SCHEMBL6550582 0.90 KDM4E (0.37) HTTKDM4E

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-0975586-B1 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed