SCHEMBL7369170

SCHEMBL7369170

CCOC(=O)C(CSc1ccc(OC)cc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
PPARG P37231 4/20 0.48
PPARA Q07869 3/20 0.48
LDHA P00338 1/20 0.44
ACE P12821 1/20 0.44
MMP8 P22894 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7074193 0.87 PPARG (0.56) PPARGPPARALDHAACETDP1
SCHEMBL9514160 0.85 EPHX2 (0.60) EPHX2PPARGPPARALDHAMMP8
SCHEMBL7308337 0.82 MMP9 (0.55) PPARGPPARAACE
SCHEMBL7324339 0.80 PPARG (0.54) EPHX2PPARGPPARAMMP8
SCHEMBL10521821 0.78 MMP8 (0.61) EPHX2PPARGPPARAMMP8
SCHEMBL13258984 0.77 NOS3 (0.48) PPARGPPARA
SCHEMBL3943356 0.77 EPHX2 (0.74) EPHX2PPARGPPARALDHA
SCHEMBL13821920 0.77 EPHX2 (0.74) EPHX2PPARGPPARALDHA
SCHEMBL7366876 0.77 MMP1 (0.51) EPHX2PPARGPPARALDHANPSR1
SCHEMBL6380461 0.76 MTNR1A (0.50) PPARGPPARALDHAMAPT

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
US-6235928-B1 ENZYME INHIBITOR MATRIX METALLOPROTEINASE FAMILY, INCLUDING COLLAGENASE, STROMELYSIN, AND GELATINASE, THE COMPOUNDS OR PHARMACEUTICAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY 2001-05-22 US disclosed
EP-0929519-A1 $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-07-21 EP disclosed
US-5847153-A β-sulfonyl hydroxamic acids PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed
WO-1998013340-A1 β-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-04-02 WO disclosed