SCHEMBL7372175

SCHEMBL7372175

CCCCCOC(=O)NCCCCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.53
MMP9 P14780 8/20 0.53
MMP12 P39900 12/20 0.51
MMP13 P45452 10/20 0.51
MMP8 P22894 4/20 0.50
MMP14 P50281 4/20 0.50
MMP3 P08254 2/20 0.49
MMP1 P03956 1/20 0.49
MMP7 P09237 1/20 0.49
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7344997 0.88 MMP12 (0.55) MMP2MMP9MMP12MMP13MMP8
SCHEMBL6416338 0.87 MMP2 (0.70) MMP2MMP9MMP12MMP13MMP14
SCHEMBL7353718 0.86 MMP2 (0.54) MMP2MMP9MMP12MMP13MMP8
SCHEMBL6420328 0.84 MMP2 (0.66) MMP2MMP9MMP12MMP13MMP14
SCHEMBL7343612 0.83 MMP2 (0.51) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7354362 0.83 MMP12 (0.54) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7352006 0.81 MMP12 (0.52) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7345951 0.81 MMP12 (0.50) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7352548 0.81 MMP12 (0.53) MMP2MMP9MMP12MMP13MMP8
SCHEMBL7352152 0.81 MMP12 (0.53) MMP2MMP9MMP12MMP13MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed