SCHEMBL7220886

SCHEMBL7220886

CC(C)OC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.53
ADAM17 P78536 7/20 0.53
MMP13 P45452 3/20 0.53
MMP8 P22894 4/20 0.47
MMP3 P08254 2/20 0.47
ADAMTS4 O75173 1/20 0.45
KMT2A Q03164 1/20 0.42

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
SCHEMBL4653509 0.92 MMP1 (0.62) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7216733 0.92 MMP1 (0.62) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7215046 0.86 MMP1 (0.48) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL8435351 0.83 MMP1 (0.66) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL8435353 0.83 MMP1 (0.66) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL27573429 0.82 ADAM17 (0.59) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7105952 0.76 MMP1 (0.71) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL5756389 0.76 MMP1 (0.71) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL8576750 0.76 MMP1 (0.56) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL5758290 0.75 MMP1 (0.69) MMP1ADAM17MMP13MMP8MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599890-B1 Inhibitors of matrix metalloproteinases or the production of tumor necrosis factor PFIZER INC 2003-07-29 US disclosed
EP-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed