SCHEMBL3837895

SCHEMBL3837895

O=S(=O)(OSCc1ccccc1)OSCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CA2 P00918 8/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 4/20 0.41
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
PRSS3 P35030 1/20 0.40
CA5A P35218 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5078812 0.83 CYP2C19 (0.40) BCHEACHECA2CA1CA9
SCHEMBL10708916 0.82 CYP2C19 (0.39) BCHEACHECA2CA1CA9
Potassium Ion SCHEMBL7077813 0.82 BCHE (0.42) BCHEACHECA2CA1CA9
SCHEMBL2932536 0.82 BCHE (0.42) BCHEACHECA2CA1CA9
SCHEMBL10709455 0.82 CYP2C19 (0.39) BCHEACHECA2CA1CA9
SCHEMBL27464854 0.82 CYP2C19 (0.39) BCHEACHECA2CA1CA9
SCHEMBL8450 0.74 IDO1 (0.44) BCHEACHECA2CA1CA9
SCHEMBL9861701 0.72 CA1 (0.40) CA2CA1CA9CA12CA14
Water SCHEMBL28337532 0.72 IDO1 (0.43) BCHEACHECA2CA1CA9
SCHEMBL9861108 0.70 CA12 (0.46) CA2CA1CA9CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1739426-B1 IMMUNOLOGICAL ASSAY METHOD AND REAGENT A & T CORP (JP) 2009-10-28 EP disclosed
US-20080003692-A1 Immunoassay and Reagent A & T CORPORATION (JP) 2008-01-03 US disclosed
EP-1739426-A1 IMMUNOLOGICAL ASSAY METHOD AND REAGENT A & T Corporation (JP) 2007-01-03 EP disclosed