SCHEMBL8729631

SCHEMBL8729631

CCOc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCN)c1)C(C)(C)P(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.40
CTRC Q99895 5/20 0.34
PRSS2 P07478 4/20 0.34
KAT6A Q92794 1/20 0.34
NPC1 O15118 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 0.93 F2 (0.39) F2CTRCPRSS2KAT6A
SCHEMBL7537667 0.93 F2 (0.39) F2CTRCPRSS2
SCHEMBL7360906 0.91 F2 (0.47) F2CTRCPRSS2
SCHEMBL7356096 0.89 F2 (0.39) F2CTRCPRSS2KAT6A
SCHEMBL7363720 0.86 F2 (0.34) F2CTRCPRSS2KAT6ANPC1
SCHEMBL8726659 0.83 F2 (0.58) F2CTRCPRSS2
SCHEMBL7359257 0.80 F2 (0.35) F2
SCHEMBL7479980 0.80 F2 (0.34) F2
SCHEMBL7391086 0.79 F2 (0.40) F2CTRCPRSS2NPC1
SCHEMBL8726831 0.79 F2 (0.40) F2CTRCPRSS2

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