SCHEMBL6239380

SCHEMBL6239380

C[C@H]1CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H](OC(=O)NO)C(C)(C)O1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.58
ADAM17 P78536 10/20 0.58
MMP13 P45452 5/20 0.53
MMP8 P22894 2/20 0.51
MMP3 P08254 1/20 0.51

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
SCHEMBL6237402 0.87 MMP1 (0.71) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6239549 0.84 MMP1 (0.60) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL7761385 0.84 MMP1 (0.60) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6241133 0.83 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238727 0.83 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238179 0.83 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6245036 0.82 MMP1 (0.57) MMP1ADAM17MMP13
SCHEMBL6239476 0.82 MMP1 (0.59) MMP1ADAM17MMP13
SCHEMBL6240294 0.82 MMP1 (0.53) MMP1ADAM17MMP13
SCHEMBL6244304 0.82 MMP1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP claimed