SCHEMBL7102697

SCHEMBL7102697

O=C(NCCc1ccccc1)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.58
ACE P12821 3/20 0.53
CPA1 P15085 3/20 0.53
ACE2 Q9BYF1 3/20 0.53
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.49
MMP8 P22894 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7102694 1.00 MME (0.58) MMEACECPA1ACE2KMT2A
SCHEMBL7104122 0.92 MMP8 (0.55) MMEACECPA1ACE2POLB
SCHEMBL7099381 0.92 MMP8 (0.55) MMEACECPA1ACE2POLB
SCHEMBL7098301 0.92 ADAMTS5 (0.54) MMEACECPA1ACE2KMT2A
SCHEMBL7104216 0.92 SMN1; SMN2 (0.52) MMEACECPA1ACE2KMT2A
SCHEMBL7102264 0.92 MMP8 (0.58) MMEACECPA1ACE2KMT2A
SCHEMBL7102259 0.92 MMP8 (0.58) MMEACECPA1ACE2KMT2A
SCHEMBL7099462 0.89 KMT2A (0.60) KMT2AMEN1
SCHEMBL7099460 0.89 KMT2A (0.60) KMT2AMEN1
SCHEMBL7098082 0.89 MME (0.55) MMEACECPA1ACE2KMT2A

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