SCHEMBL7758697

SCHEMBL7758697

CC(C)(C)C(NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 9/20 0.61
MMP9 P14780 4/20 0.52
MMP13 P45452 6/20 0.48
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ADAM17 P78536 1/20 0.44
RAB9A P51151 1/20 0.42
PLAU P00749 1/20 0.42
TARS1 P26639 1/20 0.41

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
SCHEMBL6686715 0.89 MMP13 (0.58) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL7354064 0.85 MMP9 (0.69) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL1655863 0.82 ADAMTS4 (0.85) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL7354161 0.78 MMP13 (0.56) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL7348920 0.78 MMP9 (0.55) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL7763645 0.78 MMP9 (0.55) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL7347207 0.78 MMP9 (0.55) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL7981017 0.76 SMN1; SMN2 (0.62) ADAMTS4MMP9MMP13MMP1MMP2
SCHEMBL8283268 0.76 ADAMTS4 (1.00) ADAMTS4MMP13MMP2
SCHEMBL6266743 0.75 MMP9 (0.45) ADAMTS4MMP9MMP13MMP1MMP2

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