SCHEMBL5758209

SCHEMBL5758209

O=C(O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.80
MMP1 P03956 15/20 0.68
MMP8 P22894 2/20 0.55
MMP3 P08254 1/20 0.55
MMP13 P45452 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
SCHEMBL27573313 1.00 ADAM17 (0.80) ADAM17MMP1MMP8MMP3MMP13
Hydroxyamine SCHEMBL7513406 0.98 ADAM17 (0.78) ADAM17MMP1MMP8MMP3MMP13
SCHEMBL27573308 0.91 ADAM17 (0.81) ADAM17MMP1MMP3MMP13
SCHEMBL28748328 0.90 ADAM17 (0.80) ADAM17MMP1MMP13
SCHEMBL27573328 0.90 ADAM17 (0.80) ADAM17MMP1MMP13
SCHEMBL7513418 0.89 ADAM17 (0.76) ADAM17MMP1MMP8MMP3MMP13
SCHEMBL5757799 0.89 ADAM17 (1.00) ADAM17MMP1MMP8MMP3MMP13
SCHEMBL5757960 0.89 ADAM17 (1.00) ADAM17MMP1MMP8MMP3MMP13
SCHEMBL5757113 0.89 ADAM17 (1.00) ADAM17MMP1MMP8MMP3MMP13
SCHEMBL27553230 0.88 ADAM17 (0.82) 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 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