SCHEMBL7098207

SCHEMBL7098207

O=C(O)[C@H](CCc1ccccc1)C(=O)C=S

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.46
ACE P12821 1/20 0.44
CNR2 P34972 1/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.42
ANPEP P15144 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
ERAP2 Q6P179 1/20 0.42
MME P08473 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL2291948 0.82 MMP8 (0.56) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL4826237 0.81 CYP1A2 (0.53) MMP8MMECYP1A2
SCHEMBL8534054 0.79 MMP8 (0.50) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL7098213 0.76 ALDH1A1 (0.50) MMP8CNR2TSHRKEAP1MEN1
SCHEMBL7098205 0.76 ALDH1A1 (0.50) MMP8CNR2TSHRKEAP1MEN1
SCHEMBL2569812 0.76 ALDH1A1 (0.53) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL9264377 0.76 ANPEP (0.50) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL31126385 0.74 HDAC3 (0.52) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL28699523 0.74 MMP8 (0.46) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL7375605 0.73 CNR2 (0.49) CNR2TSHRKEAP1ANPEPERAP1

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