SCHEMBL6569940

SCHEMBL6569940

CC(C)(C)OC(=O)N[C@@H](CI)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CTSS P25774 3/20 0.54
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
AKT1 P31749 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL26751486 1.00 CTSK (0.54) CTSKCTSSMAPTATMAKT1
SCHEMBL19517266 0.89 CTSK (0.56) CTSKCTSSMAPTATMCTSL
SCHEMBL28464584 0.87 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL28859554 0.87 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL12203909 0.86 CTSK (0.56) CTSKCTSSMAPTATMCTSL
SCHEMBL9608914 0.86 CTSK (0.56) CTSKCTSSMAPTATMCTSL
SCHEMBL5212724 0.86 CTSK (0.56) CTSKCTSSMAPTATMCTSL
SCHEMBL127326 0.86 RIPK1 (0.60) CTSKCTSSMAPTATMCTSL
SCHEMBL2481921 0.86 RIPK1 (0.60) CTSKCTSSMAPTATMCTSL
SCHEMBL3349953 0.86 RIPK1 (0.60) CTSKCTSSMAPTATMCTSL

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
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