SCHEMBL6569093

SCHEMBL6569093

CC(C)(C)OC(=O)N[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
RIPK1 Q13546 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6570201 0.84 CTSK (0.46) CTSKCTSSRIPK1MAPTALDH1A1
SCHEMBL6568526 0.83 CTSK (0.49) CTSKCTSSRIPK1MAPTALDH1A1
SCHEMBL6569209 0.83 CTSK (0.49) CTSKCTSSRIPK1MAPTALDH1A1
SCHEMBL6570367 0.78 ASAH1 (0.51) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL13184597 0.78 CTSK (0.53) CTSKCTSSMAPTPPARAATM
SCHEMBL7754157 0.78 CTSK (0.53) CTSKCTSSMAPTPPARAATM
SCHEMBL19312076 0.78 CTSK (0.53) CTSKCTSSMAPTPPARAATM
SCHEMBL3349953 0.77 RIPK1 (0.60) CTSKCTSSRIPK1MAPTPPARA
SCHEMBL127326 0.77 RIPK1 (0.60) CTSKCTSSRIPK1MAPTPPARA
SCHEMBL2481921 0.77 RIPK1 (0.60) CTSKCTSSRIPK1MAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed