SCHEMBL7449575

SCHEMBL7449575

O=C(NO)C1C(O)CCCN1S(=O)(=O)c1ccc(OCCc2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.60
ADAM17 P78536 12/20 0.60
MMP13 P45452 4/20 0.60
MMP3 P08254 5/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 2/20 0.50
MMP2 P08253 1/20 0.48
MMP7 P09237 1/20 0.48

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
SCHEMBL7111262 1.00 MMP1 (0.60) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL5756389 0.91 MMP1 (0.71) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7105952 0.91 MMP1 (0.71) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL5759603 0.90 MMP1 (0.54) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL7507399 0.90 MMP1 (0.54) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL8576750 0.87 MMP1 (0.56) MMP1ADAM17MMP13MMP3MMP8
SCHEMBL5757107 0.86 ADAM17 (0.51) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL5756594 0.81 MMP1 (0.72) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL5758290 0.80 MMP1 (0.69) MMP1ADAM17MMP13MMP3MMP9
SCHEMBL27573429 0.80 ADAM17 (0.59) MMP1ADAM17MMP13MMP3MMP9

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-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed