SCHEMBL8729116

SCHEMBL8729116

CCCCCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCNc2ccncc2)c1)C(C)(C)P(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.56
PRSS2 P07478 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL8726838 0.99 F2 (0.56) F2PRSS2CTRC
SCHEMBL8726820 0.98 F2 (0.57) F2PRSS2CTRC
SCHEMBL8726738 0.95 F2 (0.58) F2PRSS2CTRC
SCHEMBL8726659 0.93 F2 (0.58) F2PRSS2CTRC
SCHEMBL8728985 0.90 F2 (0.68) F2PRSS2CTRC
SCHEMBL8727415 0.89 F2 (0.48) F2PRSS2CTRC
SCHEMBL8726622 0.88 F2 (0.57) F2PRSS2CTRC
SCHEMBL8726814 0.87 F2 (0.48) F2PRSS2CTRC
SCHEMBL8732203 0.85 F2 (0.59) F2
SCHEMBL7358686 0.82 F2 (0.57) F2

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-0778839-B1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1998-12-23 EP disclosed
US-5824679-A Phosphanoxides--preparation and use BOEHRINGER MANNHEIM GMBH (DE) 1998-10-20 US disclosed