SCHEMBL5234080

SCHEMBL5234080

CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C(C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MMP1 P03956 3/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
MMP9 P14780 3/20 0.48
MMP13 P45452 3/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL7346677 0.83 MMP1 (0.54) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL751771 0.74 HSD11B1 (0.54) ALDH1A1
SCHEMBL6189161 0.74 CACNA2D1 (0.49) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL695071 0.73 MMP2 (0.59) ALDH1A1MMP9GAAHTT
SCHEMBL17833176 0.73 MMP2 (0.59) ALDH1A1MMP9GAAHTT
SCHEMBL1382978 0.72 SMN1; SMN2 (0.53) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL8718942 0.72 LMNA (0.58) ALDH1A1MMP9USP2HTT
SCHEMBL4035557 0.71 MMP1 (0.62) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4037002 0.71 MMP1 (0.62) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4038681 0.71 MMP1 (0.62) ALDH1A1MMP1MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200824-B1 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES AVENTIS PHARMA INC (US) 2007-04-25 EP disclosed
US-7138526-B1 Solid phase synthesis of n,n-disubstituted diazacycloalkylcarboxy derivatives AVENTIS PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
EP-1200824-A4 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES AVENTIS PHARM PROD INC (US) 2003-03-12 EP disclosed
EP-1200824-A1 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2002-05-02 EP disclosed
WO-2000077519-A1 SOLID PHASE SYNTHESIS OF N,N-DISUBSTITUTED DIAZACYCLOALKYLCARBOXY DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-12-21 WO disclosed