SCHEMBL7304591

SCHEMBL7304591

O=C(NO)C1(CSc2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.64
MMP13 P45452 12/20 0.64
MMP14 P50281 7/20 0.64
MMP2 P08253 7/20 0.64
MMP3 P08254 6/20 0.64
MMP9 P14780 6/20 0.64
MMP8 P22894 6/20 0.64
MMP7 P09237 2/20 0.64
ABCB11 O95342 1/20 0.64
MMP10 P09238 1/20 0.64
ADAM17 P78536 1/20 0.64

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
SCHEMBL7313882 0.89 MMP1 (0.55) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304697 0.88 MMP1 (0.54) MMP1MMP13MMP14MMP2MMP3
SCHEMBL2409029 0.87 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7310855 0.86 MMP13 (0.56) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308927 0.86 MMP1 (0.50) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7309706 0.84 MMP13 (0.57) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304852 0.82 MMP13 (0.45) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7302178 0.82 MMP1 (0.46) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7001941 0.81 MMP1 (0.56) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6998853 0.81 MMP1 (0.56) MMP1MMP13MMP14MMP2MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012080050-A1 SOLID FORMS OF A PHENOXYBENZENESULFONYL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed