SCHEMBL7765009

SCHEMBL7765009

O=C(O)C1CNCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.58
MMP3 P08254 12/20 0.58
MMP9 P14780 8/20 0.58
MMP7 P09237 7/20 0.58
MMP13 P45452 6/20 0.58
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MMP8 P22894 5/20 0.53
ADAM17 P78536 3/20 0.51
MMP2 P08253 2/20 0.49
KMT2A Q03164 1/20 0.46
MMP14 P50281 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
SCHEMBL7369631 0.91 MMP1 (0.56) MMP1MMP3MMP9MMP7MMP13
SCHEMBL27488462 0.91 MMP9 (0.56) MMP1MMP3MMP9MMP7MMP13
Hydrochloric Acid SCHEMBL7349934 0.85 MMP1 (0.75) MMP1MMP3MMP9MMP7MMP13
SCHEMBL27583610 0.82 MMP1 (0.54) MMP1MMP3MMP9MMP7MMP13
SCHEMBL7533195 0.81 ALDH1A1 (0.64) MMP1MMP3MMP9MMP7MMP13
SCHEMBL7533200 0.81 ALDH1A1 (0.64) MMP1MMP3MMP9MMP7MMP13
SCHEMBL3914496 0.80 MMP1 (0.58) MMP1MMP3MMP9MMP7MMP13
SCHEMBL4581963 0.80 MMP13 (0.52) MMP1MMP3MMP9MMP7MMP13
SCHEMBL6269395 0.79 MMP1 (0.76) MMP1MMP3MMP9MMP7MMP13
SCHEMBL21035359 0.79 MMP1 (0.52) MMP1MMP3MMP9MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed