SCHEMBL7758754

SCHEMBL7758754

O=C(NO)C1NCCSC1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.46
MMP3 P08254 13/20 0.46
MMP7 P09237 8/20 0.46
MMP2 P08253 7/20 0.46
MMP9 P14780 6/20 0.46
MMP13 P45452 6/20 0.46
MMP14 P50281 5/20 0.46
MMP8 P22894 5/20 0.44
ADAM17 P78536 3/20 0.44
ADAMTS4 O75173 2/20 0.42
ADAMTS5 Q9UNA0 2/20 0.42
MEP1B Q16820 1/20 0.42
MMP12 P39900 1/20 0.41
MMP16 P51512 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7763707 0.91 LMNA (0.46) MMP1MMP3MMP7MMP2MMP9
SCHEMBL14843811 0.74 CYP1A2 (0.39) MMP2ALDH1A1SMN1; SMN2
SCHEMBL8596522 0.69 MMP1 (0.47) MMP1MMP3MMP7MMP2MMP9
SCHEMBL4654488 0.67 MMP1 (0.47) MMP1MMP3MMP7MMP2MMP9
SCHEMBL21358891 0.66 MAPT (0.37) ALDH1A1SMN1; SMN2
SCHEMBL7207157 0.65 MMP13 (0.56) MMP1MMP3MMP2MMP9MMP13
SCHEMBL6268904 0.65 MMP1 (0.76) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7310778 0.64 MMP13 (0.53) MMP1MMP3MMP2MMP9MMP13
SCHEMBL1529244 0.63 LMNA (0.48) MMP1MMP3MMP7MMP2MMP9
SCHEMBL49295 0.63 MMP2 (0.65) MMP1MMP3MMP7MMP2MMP9

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-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