SCHEMBL7145191

SCHEMBL7145191

COC(=O)C1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.41
ANPEP P15144 2/20 0.41
CYP19A1 P11511 1/20 0.41
CA12 O43570 1/20 0.38
MMP9 P14780 1/20 0.38
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNN4 O15554 1/20 0.33

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
SCHEMBL5409486 1.00 MMP2 (0.41) MMP2ANPEPCYP19A1CA12MMP9
SCHEMBL7145187 1.00 MMP2 (0.41) MMP2ANPEPCYP19A1CA12MMP9
SCHEMBL5409304 0.88 CA12 (0.38) MMP2CA12MMP9KMT2A
SCHEMBL6980489 0.88 CA12 (0.38) MMP2CA12MMP9KMT2A
SCHEMBL5422653 0.83 MME (0.43) MMP2ANPEPCA12ALDH1A1MAPT
SCHEMBL6968348 0.83 MME (0.43) MMP2ANPEPCA12ALDH1A1MAPT
SCHEMBL6968343 0.83 MME (0.43) MMP2ANPEPCA12ALDH1A1MAPT
SCHEMBL7137592 0.81 MMP2 (0.42) MMP2ANPEPKMT2AALDH1A1HSD17B10
SCHEMBL5409750 0.81 ALDH1A1 (0.35) ALDH1A1NPSR1
SCHEMBL5415447 0.81 ALDH1A1 (0.35) ALDH1A1NPSR1

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-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-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed