SCHEMBL23693145

SCHEMBL23693145

Bc1ccc2c(c1)oc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 18/20 0.53
MMP13 P45452 16/20 0.53
KDM4E B2RXH2 1/20 0.51
MMP2 P08253 2/20 0.49
MMP3 P08254 2/20 0.49
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
MMP7 P09237 1/20 0.49
MMP14 P50281 1/20 0.48

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
SCHEMBL23673495 0.88 MMP13 (0.53) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23693583 0.88 MMP12 (0.53) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23693528 0.88 MMP13 (0.60) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23693194 0.88 MMP13 (0.60) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL4424736 0.87 MMP13 (0.70) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL27540150 0.87 MMP13 (0.70) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23693177 0.87 MMP12 (0.53) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23673437 0.85 MMP13 (0.60) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23673538 0.85 MMP13 (0.54) MMP12MMP13KDM4EMMP2MMP3
SCHEMBL23673542 0.85 MMP13 (0.54) MMP12MMP13KDM4EMMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed