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Sugi Predict / Compounds / SCHEMBL7452222

SCHEMBL7452222

SCHEMBL7452222

O=C(NO)[C@@H]1CCC(O)CN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 17/20 0.82
▸ MMP1 P03956 12/20 0.82
▸ MMP13 P45452 1/20 0.74
▸ MMP8 P22894 2/20 0.65
▸ MMP3 P08254 1/20 0.65

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
SCHEMBL5760088 1.00 ADAM17 (0.82) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5756836 1.00 ADAM17 (0.82) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5757709 0.91 ADAM17 (0.77) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5758341 0.90 ADAM17 (0.82) ADAM17MMP1MMP13MMP3
SCHEMBL5757873 0.90 ADAM17 (1.00) ADAM17MMP1MMP13MMP3
SCHEMBL5759234 0.90 ADAM17 (1.00) ADAM17MMP1MMP13MMP3
SCHEMBL5759375 0.90 ADAM17 (1.00) ADAM17MMP1MMP13MMP3
SCHEMBL5758858 0.90 ADAM17 (1.00) ADAM17MMP1MMP13
SCHEMBL5759419 0.89 ADAM17 (0.76) ADAM17MMP1MMP13
SCHEMBL5758761 0.88 ADAM17 (0.78) ADAM17MMP1MMP13

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