SCHEMBL7348180

SCHEMBL7348180

CC(C)(SCc1ccccc1)[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.44
MMP1 P03956 6/20 0.44
MMP2 P08253 6/20 0.44
MMP9 P14780 4/20 0.44
MMP3 P08254 3/20 0.44
PTGES O14684 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NR3C1 P04150 7/20 0.41
PGR P06401 1/20 0.41
MMP8 P22894 2/20 0.41
MMP14 P50281 2/20 0.41
ADAM17 P78536 2/20 0.41
ALOX5 P09917 1/20 0.39
MMP16 P51512 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL7345647 0.86 LMNA (0.47) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7350929 0.83 LMNA (0.51) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6268200 0.81 MMP9 (0.42) MMP13MMP1MMP2MMP9PTGES
SCHEMBL8444555 0.80 FFAR1 (0.41) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6269959 0.80 TDP1 (0.37) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6269298 0.80 KDM4E (0.38) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6285289 0.80 SMN1; SMN2 (0.42) MMP13MMP1MMP2MMP9LMNA
SCHEMBL6272544 0.76 PGR (0.42) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7355824 0.76 MMP13 (0.37) MMP13MMP1MMP2MMP9LMNA
SCHEMBL6271168 0.76 MMP9 (0.34) MMP13MMP1MMP9ADAM17

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
EP-0973748-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 2000-01-26 EP disclosed
US-5985900-A TREATING TUMOR GROWTH, INVASION OR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CHRONIC DERMAL WOUNDS, CORNEAL ULCERATION, DEGENERATIVE SKIN DISORDERS, MULTIPLE SCLEROSIS, STROKE, ATHEROSCLEROSIS, AGOURON PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1998043963-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 WO disclosed