SCHEMBL7098084

SCHEMBL7098084

O=C(NCCc1ccccc1)C(NC(=O)C(S)CCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.55
ACE P12821 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
CNR2 P34972 1/20 0.50
POLB P06746 1/20 0.49
MMP8 P22894 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 1.00 MME (0.55) MMEACECPA1ACE2CNR2
SCHEMBL7098232 0.91 POLB (0.52) MMEACECPA1ACE2POLB
SCHEMBL7102697 0.89 MME (0.58) MMEACECPA1ACE2POLB
SCHEMBL7102694 0.89 MME (0.58) MMEACECPA1ACE2POLB
SCHEMBL7098602 0.84 KMT2A (0.55) MMEACECPA1ACE2POLB
SCHEMBL7098596 0.84 KMT2A (0.55) MMEACECPA1ACE2POLB
SCHEMBL7098301 0.82 ADAMTS5 (0.54) MMEACECPA1ACE2CNR2
SCHEMBL7099381 0.82 MMP8 (0.55) MMEACECPA1ACE2POLB
SCHEMBL7104216 0.82 SMN1; SMN2 (0.52) MMEACECPA1ACE2KMT2A
SCHEMBL7104122 0.82 MMP8 (0.55) MMEACECPA1ACE2POLB

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