SCHEMBL7886196

SCHEMBL7886196

CCOC(=O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.56
MMP13 P45452 16/20 0.56
MMP2 P08253 4/20 0.53
MMP9 P14780 4/20 0.53
MMP8 P22894 3/20 0.53
MMP3 P08254 2/20 0.53
MMP14 P50281 2/20 0.51
MMP12 P39900 1/20 0.51
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7134741 1.00 MMP1 (0.56) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6998192 0.88 MMP1 (0.71) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6998188 0.88 MMP1 (0.71) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7141150 0.87 MMP1 (0.58) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7886290 0.84 MMP1 (0.62) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6946064 0.84 MMP1 (0.70) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6796931 0.80 MMP1 (0.58) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6801915 0.79 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7213008 0.75 MMP1 (0.55) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7213013 0.75 MMP1 (0.55) MMP1MMP13MMP2MMP9MMP8

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
US-6214870-B1 ANTIARTHRITIC AGENTS; ANTICANCER AGENTS PFIZER INC 2001-04-10 US disclosed