SCHEMBL3983557

SCHEMBL3983557

[CH2]c1ccccc1S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.59
▸ MMP12 P39900 12/20 0.59
▸ MMP8 P22894 11/20 0.59
▸ MMP13 P45452 11/20 0.59
▸ MMP14 P50281 11/20 0.59
▸ MMP16 P51512 11/20 0.59
▸ MMP9 P14780 11/20 0.59
▸ MMP3 P08254 8/20 0.59
▸ MMP1 P03956 5/20 0.55
▸ PKM P14618 2/20 0.55
▸ ADAM17 P78536 1/20 0.49
▸ PGR P06401 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL20129486 0.80 PKM (0.73) MMP2MMP12MMP8MMP13MMP14
SCHEMBL10672859 0.80 HTT (0.73) MMP2MMP12MMP8MMP13MMP14
SCHEMBL15423745 0.80 PKM (0.73) MMP2MMP12MMP8MMP13MMP14
SCHEMBL17472319 0.79 PKM (0.86) MMP2MMP12MMP8MMP13MMP14
SCHEMBL18069681 0.79 PKM (0.86) MMP2MMP12MMP8MMP13MMP14
SCHEMBL14148915 0.79 PKM (0.86) MMP2MMP12MMP8MMP13MMP14
SCHEMBL19008825 0.79 PKM (0.86) MMP2MMP12MMP8MMP13MMP14
SCHEMBL314725 0.78 MMP2 (0.74) MMP2MMP12MMP8MMP13MMP14
SCHEMBL17368152 0.77 PKM (0.58) MMP2MMP12MMP8MMP13MMP14
SCHEMBL15074660 0.77 PKM (0.58) MMP2MMP12MMP8MMP13MMP14

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
JP-2009545556-A — — 2009-12-24 — — JP claimed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 — — EP claimed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 — — WO claimed
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