SCHEMBL7537667

SCHEMBL7537667

CCCCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCN)c1)C(C)(C)P(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.39
PRSS2 P07478 3/20 0.33
CTRC Q99895 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7359565 0.95 F2 (0.39) F2PRSS2CTRC
SCHEMBL8729631 0.93 F2 (0.40) F2PRSS2CTRC
SCHEMBL7360906 0.90 F2 (0.47) F2PRSS2CTRC
SCHEMBL7479980 0.87 F2 (0.34) F2SMN1; SMN2
SCHEMBL8726820 0.84 F2 (0.57) F2PRSS2CTRC
SCHEMBL7359257 0.83 F2 (0.35) F2
SCHEMBL8727415 0.82 F2 (0.48) F2PRSS2CTRC
SCHEMBL8729116 0.82 F2 (0.56) F2PRSS2CTRC
SCHEMBL8726838 0.81 F2 (0.56) F2PRSS2CTRC
SCHEMBL8728910 0.80 F2 (0.39) F2PRSS2CTRC

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 4 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
EP-0778839-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP disclosed
WO-1996006849-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed