SCHEMBL6979587

SCHEMBL6979587

O=C(OCc1ccccc1)C1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.49
ADAM17 P78536 2/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR4 P51679 4/20 0.45
MMP9 P14780 2/20 0.45
ELANE P08246 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C1 Q04828 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
ECE1 P42892 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP13 P45452 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
SCHEMBL5406228 1.00 MMP1 (0.49) MMP1ADAM17TSHRALDH1A1L3MBTL1
SCHEMBL5722976 0.90 CCR4 (0.45) MMP1ADAM17L3MBTL1KMT2ACCR4
SCHEMBL7138127 0.90 CCR4 (0.45) MMP1ADAM17L3MBTL1KMT2ACCR4
SCHEMBL5420131 0.90 CCR4 (0.45) MMP1ADAM17L3MBTL1KMT2ACCR4
SCHEMBL8691582 0.86 TSHR (0.44) MMP1ADAM17TSHRALDH1A1L3MBTL1
SCHEMBL5415716 0.84 MMP9 (0.47) MMP1ADAM17ALDH1A1L3MBTL1MEN1
SCHEMBL7145985 0.84 MMP9 (0.47) MMP1ADAM17ALDH1A1L3MBTL1MEN1
SCHEMBL7166230 0.84 MME (0.49) MMP1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL6980507 0.84 MME (0.49) MMP1TSHRALDH1A1L3MBTL1MEN1
SCHEMBL5409165 0.84 MME (0.49) MMP1TSHRALDH1A1L3MBTL1MEN1

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-1317428-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed
WO-2002006224-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed