SCHEMBL5758974

SCHEMBL5758974

O=C(NO)O[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(OCc2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.58
ADAM17 P78536 13/20 0.58
MMP3 P08254 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 1/20 0.45

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
SCHEMBL5762105 0.91 MMP1 (0.48) MMP1ADAM17MMP3MMP9MMP13
SCHEMBL5758586 0.91 MMP1 (0.59) MMP1ADAM17MMP3MMP9MMP13
SCHEMBL5760495 0.89 ADAM17 (0.61) MMP1ADAM17MMP3MMP13
SCHEMBL7111222 0.86 MMP1 (0.66) MMP1ADAM17MMP3MMP9MMP13
SCHEMBL5761953 0.83 MMP1 (0.41) MMP1ADAM17MMP3MMP9MMP13
SCHEMBL5761758 0.82 L3MBTL1 (0.44) MMP1ADAM17MMP13
SCHEMBL5757107 0.81 ADAM17 (0.51) MMP1ADAM17MMP3MMP9MMP13
SCHEMBL5760549 0.80 ALDH1A1 (0.47) MMP1ADAM17
SCHEMBL5760551 0.79 MMP1 (0.75) MMP1ADAM17
SCHEMBL6237935 0.78 MMP1 (0.52) MMP1ADAM17MMP3MMP9MMP13

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
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP claimed