SCHEMBL5758586

SCHEMBL5758586

O=C(NO)O[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.59
ADAM17 P78536 15/20 0.59
MMP9 P14780 8/20 0.58
MMP3 P08254 2/20 0.58
MMP13 P45452 2/20 0.53
MMP2 P08253 5/20 0.52
MMP7 P09237 3/20 0.49
MMP12 P39900 3/20 0.49
MMP14 P50281 3/20 0.49
MMP15 P51511 3/20 0.49
MMP16 P51512 3/20 0.49
MMP26 Q9NRE1 3/20 0.49

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
SCHEMBL5758974 0.91 MMP1 (0.58) MMP1ADAM17MMP9MMP3MMP13
SCHEMBL5760495 0.91 ADAM17 (0.61) MMP1ADAM17MMP3MMP13
SCHEMBL5756594 0.85 MMP1 (0.72) MMP1ADAM17MMP9MMP3MMP13
SCHEMBL5760549 0.83 ALDH1A1 (0.47) MMP1ADAM17
SCHEMBL5761953 0.83 MMP1 (0.41) MMP1ADAM17MMP9MMP3MMP13
SCHEMBL5757107 0.82 ADAM17 (0.51) MMP1ADAM17MMP9MMP3MMP13
SCHEMBL5761758 0.82 L3MBTL1 (0.44) MMP1ADAM17MMP13
SCHEMBL5762105 0.81 MMP1 (0.48) MMP1ADAM17MMP9MMP3MMP13
SCHEMBL6240371 0.81 MMP1 (0.56) MMP1ADAM17MMP9MMP3MMP13
SCHEMBL5759840 0.81 ADAM17 (0.73) MMP1ADAM17MMP9MMP3MMP13

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