SCHEMBL5166818

SCHEMBL5166818

CCN(CC)C(=O)c1c(O)c(=O)cc(C)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 4/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
TYR P14679 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 7/20 0.36
HSP90AB1 P08238 7/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5266858 0.76 MMP1 (0.52) MMP1MMP7MMP9MMP8MMP13
SCHEMBL14539772 0.75 MMP1 (0.48) MMP1MMP7MMP9MMP8MMP13
SCHEMBL7643441 0.73 LMNA (0.40) MMP1MMP7MMP9MMP8MMP13
SCHEMBL5167072 0.71 HPGD (0.45) APOBEC3AAPOBEC3GLMNARECQLHPGD
SCHEMBL15013364 0.71 MMP1 (0.45) MMP1MMP7MMP9MMP8MMP13
SCHEMBL4163022 0.70 SPR (0.46) APOBEC3AAPOBEC3GLMNARECQLHPGD
SCHEMBL2606738 0.69 TYR (0.47) MMP1MMP7MMP9MMP8MMP13
SCHEMBL14300621 0.69 APOBEC3A (0.50) APOBEC3AAPOBEC3GLMNARECQLHPGD
SCHEMBL20026452 0.68 KDM4E (0.47) MMP1MMP7MMP9MMP8MMP13
SCHEMBL337680 0.68 KDM4E (0.49) MMP1MMP7MMP9MMP8MMP13

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-1440061-B1 PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE APOTEX INC (CA) 2007-04-11 EP disclosed
US-6476229-B1 Processes for the manufacturing of 3-hydroxy-N,1,6-trialkyl-4-oxo-1,4-dihydropyridine-2-carboxamide APOTEX, INC. (CA) 2002-11-05 US disclosed
US-6472532-B1 INEXPENSIVE METHOD USING KOJIC ACID AS SAFE STARTING MATERIAL FOR SYNTHESIS OF ORALLY ACTIVE IRON CHELATORS APOTEX, INC. (CA) 2002-10-29 US disclosed
US-6426418-B1 REACTING A 3-OXY-2-HYDROXYALKYL-4H-PYRAN-4-ONE DERIVATIVE WITH SODIUM HYPOCHLORITE SOLUTION, POTASSIUM BROMIDE, TEMPO, AND A PHASE TRANSFER CATALYST TO PRODUCE A 3-OXY-2-CARBOXY-4H-PYRAN-4-ONE DERIVATIVE APOTEX, INC. (CA) 2002-07-30 US disclosed