SCHEMBL6979615

SCHEMBL6979615

CS(=O)(=O)N1C[C@H](O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 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
SCHEMBL5410563 1.00 FKBP1A (0.46) FKBP1AALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6978918 0.87 FKBP1A (0.44) FKBP1AALDH1A1HPGD
SCHEMBL5416492 0.87 FKBP1A (0.44) FKBP1AALDH1A1HPGD
SCHEMBL6978913 0.87 FKBP1A (0.44) FKBP1AALDH1A1HPGD
SCHEMBL7137995 0.87 FKBP1A (0.44) FKBP1AALDH1A1HPGD
SCHEMBL7137994 0.87 FKBP1A (0.44) FKBP1AALDH1A1HPGD
SCHEMBL13179991 0.83 POLB (0.49) FKBP1AALDH1A1TSHRPOLBHPGD
SCHEMBL8923967 0.83 POLB (0.49) FKBP1AALDH1A1TSHRPOLBHPGD
SCHEMBL12604640 0.83 POLB (0.49) FKBP1AALDH1A1TSHRPOLBHPGD
SCHEMBL6979587 0.80 MMP1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1TSHR

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