SCHEMBL5758235

SCHEMBL5758235

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.61
MMP1 P03956 16/20 0.61
MMP13 P45452 4/20 0.55
MMP8 P22894 2/20 0.54
MMP3 P08254 1/20 0.54

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
SCHEMBL5760266 1.00 ADAM17 (0.61) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5757689 0.90 ADAM17 (0.72) ADAM17MMP1MMP13MMP3
SCHEMBL5760561 0.90 ADAM17 (0.72) ADAM17MMP1MMP13MMP3
SCHEMBL5759504 0.86 ADAM17 (0.74) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5757940 0.86 ADAM17 (0.74) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL7452222 0.85 ADAM17 (0.82) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5756836 0.85 ADAM17 (0.82) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5760088 0.85 ADAM17 (0.82) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL5760495 0.80 ADAM17 (0.61) ADAM17MMP1MMP13MMP8MMP3
SCHEMBL6241656 0.78 MMP1 (0.56) ADAM17MMP1MMP13MMP8MMP3

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