SCHEMBL7104110

SCHEMBL7104110

CCCCCNC(=O)C(NC(=O)C(Cc1ccccc1)C(C)=S)C(=O)NCCCCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.48
MMP8 P22894 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
TLR2 O60603 1/20 0.44
REN P00797 1/20 0.43
PTPN1 P18031 2/20 0.43
PTPRA P18433 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42

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
SCHEMBL7104103 1.00 NAAA (0.48) NAAAMMP8HPGDMEN1ALDH1A1
SCHEMBL7104100 0.89 MMP8 (0.60) MMP8KMT2A
SCHEMBL7104095 0.89 MMP8 (0.60) MMP8KMT2A
SCHEMBL7104285 0.86 MMP8 (0.52) MMP8MEN1KMT2A
SCHEMBL7104280 0.86 MMP8 (0.52) MMP8MEN1KMT2A
SCHEMBL7104048 0.84 NAAA (0.51) NAAAHPGDMEN1ALDH1A1KMT2A
SCHEMBL7104044 0.84 NAAA (0.51) NAAAHPGDMEN1ALDH1A1KMT2A
SCHEMBL7104059 0.84 MMP8 (0.56) MMP8ALDH1A1
SCHEMBL7104054 0.84 MMP8 (0.56) MMP8ALDH1A1
SCHEMBL7098101 0.83 CTSK (0.46) MMP8ALDH1A1

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed