SCHEMBL5060958

SCHEMBL5060958

O=C1CC(S(=O)(=O)O)C(=O)N1O.O=Cc1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.39
▸ FAAH O00519 4/20 0.39
▸ HSP90AA1 P07900 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ PKM P14618 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HPN P05981 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CCR6 P51684 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
SCHEMBL7591474 0.83 MGLL (0.49) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL9171144 0.78 MGLL (0.50) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL1728478 0.76 MGLL (0.67) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL3623489 0.71 — —
SCHEMBL1867164 0.71 — —
SCHEMBL19207 0.71 — —
SCHEMBL29351152 0.70 GAA (0.41) MGLLFAAHHSP90AA1PKMATM
SCHEMBL4289308 0.70 GAA (0.41) MGLLFAAHHSP90AA1PKMATM
Phosphine SCHEMBL19611318 0.70 — —
Water SCHEMBL3416842 0.70 — —

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
US-20080318209-A1 Cjd Prion Testing PROTHERICS MOLECULAR DESIGN LTD. (GB) 2008-12-25 — — US disclosed
EP-1714159-A2 CJD PRION TESTING Protherics Molecular Design Limited (GB) 2006-10-25 — — EP disclosed
WO-2005073731-A2 CJD PRION TESTING PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2005-08-11 — — WO disclosed
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