SCHEMBL7098908

SCHEMBL7098908

Cc1ccccc1CCNC(=O)C(NC(=O)[C@@H](S)Cc1ccccc1)C(=O)NCCc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
ACE P12821 4/20 0.46
CPA1 P15085 3/20 0.46
ACE2 Q9BYF1 3/20 0.46
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 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
SCHEMBL7098915 1.00 MME (0.50) MMEACECPA1ACE2KMT2A
SCHEMBL7101188 0.90 KMT2A (0.45) MMEKMT2AMEN1MMP8
SCHEMBL7102694 0.86 MME (0.58) MMEACECPA1ACE2KMT2A
SCHEMBL7102697 0.86 MME (0.58) MMEACECPA1ACE2KMT2A
SCHEMBL7101199 0.85 MTNR1A (0.53) MMEKMT2AALDH1A1HTT
SCHEMBL7101203 0.85 MTNR1A (0.53) MMEKMT2AALDH1A1HTT
SCHEMBL7099381 0.84 MMP8 (0.55) MMEACECPA1ACE2MMP8
SCHEMBL7104122 0.84 MMP8 (0.55) MMEACECPA1ACE2MMP8
SCHEMBL7102259 0.81 MMP8 (0.58) MMEACECPA1ACE2KMT2A
SCHEMBL7102264 0.81 MMP8 (0.58) 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 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