SCHEMBL7098232

SCHEMBL7098232

CCCC(S)C(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1A2 P05177 1/20 0.44
ANPEP P15144 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4A O75164 1/20 0.44
MMP8 P22894 2/20 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
SCHEMBL7098082 0.91 MME (0.55) POLBKMT2AMEN1TSHRMME
SCHEMBL7098084 0.91 MME (0.55) POLBKMT2AMEN1TSHRMME
SCHEMBL7098602 0.86 KMT2A (0.55) POLBKMT2AMEN1TSHRMME
SCHEMBL7098596 0.86 KMT2A (0.55) POLBKMT2AMEN1TSHRMME
SCHEMBL7102694 0.85 MME (0.58) POLBKMT2AMEN1TSHRMME
SCHEMBL7102697 0.85 MME (0.58) POLBKMT2AMEN1TSHRMME
SCHEMBL7102396 0.84 POLB (0.52) POLBKMT2AMEN1TSHRMMP3
SCHEMBL7099133 0.81 KMT2A (0.52) POLBKMT2AMEN1TSHRMME
SCHEMBL7102880 0.81 KMT2A (0.52) POLBKMT2AMEN1TSHRMME
SCHEMBL7099381 0.81 MMP8 (0.55) POLBMMEACECPA1ACE2

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP claimed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US claimed
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