SCHEMBL7098205

SCHEMBL7098205

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.49
MMP8 P22894 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CNR2 P34972 1/20 0.45
HSP90AA1 P07900 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
KEAP1 Q14145 1/20 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
SCHEMBL7098213 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL2569812 0.85 ALDH1A1 (0.53) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL8534054 0.85 MMP8 (0.50) TSHRMMP8KMT2AMEN1HTT
SCHEMBL2291948 0.84 MMP8 (0.56) ALDH1A1TSHRMMP8SMN1; SMN2CNR2
SCHEMBL6695161 0.82 ALDH1A1 (0.55) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL6684391 0.81 ALDH1A1 (0.50) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL7104253 0.81 ALPI (0.57) MMP8KMT2AMEN1MAPTALPI
SCHEMBL4826233 0.81 ALPI (0.57) MMP8KMT2AMEN1MAPTALPI
SCHEMBL8990085 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL8903502 0.78 TSHR (0.49) ALDH1A1TSHRMMP8KMT2AMEN1

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