SCHEMBL23673475

SCHEMBL23673475

CN1CCN(c2ccc3oc4cc(S(=O)(=O)NC5(C(=O)O)CCCCC5)ccc4c3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 12/20 0.64
▸ USP2 O75604 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MMP13 P45452 5/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP3 P08254 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP14 P50281 2/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ PLG P00747 5/20 0.43
▸ PLAU P00749 5/20 0.43
▸ PLAT P00750 2/20 0.41
▸ F10 P00742 2/20 0.38

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
SCHEMBL23673553 0.81 USP2 (0.51) MMP12USP2HTTSMN1; SMN2MMP13
SCHEMBL6772598 0.80 HTT (0.55) MMP12USP2HTTSMN1; SMN2MMP13
SCHEMBL23693947 0.79 USP2 (0.51) MMP12USP2HTTSMN1; SMN2MMP13
Hydroxyamine SCHEMBL7578513 0.78 HTT (0.53) MMP12USP2HTTSMN1; SMN2MMP13
SCHEMBL7065810 0.78 SMN1; SMN2 (0.55) MMP12USP2HTTSMN1; SMN2MMP13
SCHEMBL4014142 0.78 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6772621 0.78 USP2 (0.49) MMP12USP2HTTSMN1; SMN2MMP13
SCHEMBL23693708 0.76 MMP12 (0.76) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6771732 0.73 SMN1; SMN2 (0.54) USP2HTTSMN1; SMN2MMP13MMP1
SCHEMBL6770822 0.73 SMN1; SMN2 (0.54) USP2HTTSMN1; SMN2MMP13MMP1

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
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